Contribution to the spectroscopic study of cytostatics molecules

NASA Astrophysics Data System (ADS)

Staicu, Angela; Pascu, Mihail-Lucian; Mogos, Ioan; Enescu, Mironel; Truica, Sorina; Voicu, Letitia; Gazdaru, Doina M.; Radu, Alina; Gazdaru, S.

2001-06-01

The effect of UV irradiation of methotrexate was investigated by steady state absorption and fluorescence spectroscopy. Major modifications on absorption bands were detected upon irradiation fluence greater than 59J/cm2. In addition the irradiated solutions become strongly fluorescent. The detected changes are not linear with the exposure time suggesting that the photo-induced chemical processes are complex.

Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine

PubMed Central

2017-01-01

The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar solvents the first absorption maximum shifts to higher transition energies and the second maximum to lower energies. The observed solvatochromic shifts have been rationalized using three popular solvatochromic scales and with high-level multireference quantum chemistry calculations including implicit and explicit solvent effects. It has been found that the dipole moments of the excited states account for some general shifts in the excitation energies, whereas the explicit solvent interactions explain the differences in the spectra recorded in the different solvents. PMID:28452483

Dissipative structure in the photo-induced phase under steady light irradiation in the spin crossover complex.

PubMed

Nishihara, Taishi; Bousseksou, Azzdine; Tanaka, Koichiro

2013-12-16

We report the spatial and temporal dynamics of the photo-induced phase in the iron (II) spin crossover complex Fe(ptz)(6)(BF(4))(2) studied by image measurement under steady light irradiation and transient absorption measurement. The dynamic factors are derived from the spatial and temporal fluctuation of the image in the steady state under light irradiation between 65 and 100 K. The dynamic factors clearly indicate that the fluctuation has a resonant frequency that strongly depends on the temperature, and is proportional to the relaxation rate of the photo-induced phase. This oscillation of the speckle pattern under steady light irradiation is ascribed to the nonlinear interaction between the spin state and the lattice volume at the surface.

Solvent influence on the photophysical properties of 4-(2-Oxo-2H-benzo[h]chromen-4-ylmethoxy)-benzaldehyde

NASA Astrophysics Data System (ADS)

Pramod, A. G.; Renuka, C. G.; Shivashankar, K.; Boregowda, P.; Nadaf, Y. F.

2018-05-01

Steady-state absorption and the fluorescence properties of the synthesized Benzofuran derivatives were studied. Absorption and fluorescence spectra of 4-(2-Oxo-2H-benzo[h]chromen-4-ylm ethoxy)-benzaldehyde (4-OBCM) have been recorded at room temperature in extensive variety of solvents of various polarities. 4-OBCM Fluorescence band maxima of the solvents are small amount spectral shifted to hypsochromic when the solvent polarity will increase, compared to absorption band under the identical circumstance. This suggests an increase in dipole moment of excited state compared to ground state. The ground-state dipole moment of 4-OBCM was found from quantum mechanical methods and the excited state dipole moment of 4-OBCM was evaluated from Lippert-Mataga Bakhshiev's, Kawski-Chamma-Viallet's and Reichardt conditions by methods for solvatochromic shift. Kamlet-Taft coefficients which affect this absorption profiles.

Determination of the optical properties of semi-infinite turbid media from frequency-domain reflectance close to the source.

PubMed

Kienle, A; Patterson, M S

1997-09-01

We investigate theoretically the errors in determining the reduced scattering and absorption coefficients of semi-infinite turbid media from frequency-domain reflectance measurements made at small distances between the source and the detector(s). The errors are due to the uncertainties in the measurement of the phase, the modulation and the steady-state reflectance as well as to the diffusion approximation which is used as a theoretical model to describe light propagation in tissue. Configurations using one and two detectors are examined for the measurement of the phase and the modulation and for the measurement of the phase and the steady-state reflectance. Three solutions of the diffusion equation are investigated. We show that measurements of the phase and the steady-state reflectance at two different distances are best suited for the determination of the optical properties close to the source. For this arrangement the errors in the absorption coefficient due to typical uncertainties in the measurement are greater than those resulting from the application of the diffusion approximation at a modulation frequency of 200 MHz. A Monte Carlo approach is also examined; this avoids the errors due to the diffusion approximation.

Laser Cooling of Solids

DTIC Science & Technology

2009-01-01

BN2 − CN3 + (1− ηe)BN2 (9) Here α(ν,N) is the interband absorption coefficient that in- cludes many-body and blocking factors. The recombination...the reso- nant absorption coefficient and αb is the unwanted parasitic (background) absorption coefficient . As will be derived in sections II and IV... coefficient of αb. It is straightforward to evaluate the steady-state solution to the above rate equations by setting the time derivatives to zero

Spectroscopic investigation on the energy transfer process in photosynthetic apparatus of cyanobacteria

NASA Astrophysics Data System (ADS)

Li, Ye; Wang, Bei; Ai, Xi-Cheng; Zhang, Xing-Kang; Zhao, Jing-Quan; Jiang, Li-Jin

2004-06-01

In this work, we employ cyanobacteria, Spirulina platensis, and separate their photosynthetic apparatus, phycobilisome (PBS), thylakoid membrane and phycobilisome-thylakoid membrane complex. The steady state absorption spectra, fluorescence spectra and corresponding deconvoluted spectra and picosecond time-resolved spectra are used to investigate the energy transfer process in phycobilisome-thylakoid membrane complex. The results on steady state spectra show chlorophylls of the photosystem II are able to transfer excitation energy to phycobilisome with Chl a molecules selectively excited. The decomposition of the steady state spectra further suggest the uphill energy transfer originate from chlorophylls of photosystem II to cores of phycobilisome, while rods and cores of phycobilisome cannot receive energy from the chlorophylls of photosystem I. The time constant for the back energy transfer process is 18 ps.

A Metal-Free, Nonconjugated Polymer for Solar Photocatalysis.

PubMed

Irigoyen-Campuzano, Rafael; González-Béjar, María; Pino, Eduardo; Proal-Nájera, Jose B; Pérez-Prieto, Julia

2017-02-24

Heterogeneous catalysts that can absorb light over the solar range are ideal for green photocatalysis. Recently, attention has been directed towards the generation of novel solar-light photocatalysts, in particular, metal-free polymers. Herein, it is demonstrated that a metal-free, nonconjugated, anthraquinone-based copolymer (poly[1,4-diamine-9,10-dioxoanthracene-alt-(benzene-1,4-dioic acid)] (COP)) with a strong absorption in the visible region is effective as a sunlight heterogeneous photocatalyst. As a proof of concept, it has been used to mineralize 2,5-dichlorophenol (2,5-DCP) in water under air and sunlight irradiation. The photocatalytic efficiency of COP compares well with that of TiO 2 -P25 when the reaction is carried out in a solar photoreactor in acid medium. Steady-state and time-resolved (absorption and emission) studies performed on COP suspended in 6:4 DMF/H 2 O have provided valuable information about the COP species generated under different pH conditions. Steady-state absorption and fluorescence data are consistent with the existence of a tautomeric equilibrium between the 9,10-keto and 1,10-iminoketo quinoid forms for the anthraquinone in the ground state. Moreover, in basic media, transient absorption measurements showed the presence of two bands ascribed to the tautomeric triplet excited states, whereas only one of the triplets was observed in acid medium. A mechanism for the photocatalyzed degradation of 2,5-DCP by COP is proposed on the basis of these observations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diiodobodipy-styrylbodipy Dyads: Preparation and Study of the Intersystem Crossing and Fluorescence Resonance Energy Transfer.

PubMed

Wang, Zhijia; Xie, Yun; Xu, Kejing; Zhao, Jianzhang; Glusac, Ksenija D

2015-07-02

2,6-Diiodobodipy-styrylbodipy dyads were prepared to study the competing intersystem crossing (ISC) and the fluorescence-resonance-energy-transfer (FRET), and its effect on the photophysical property of the dyads. In the dyads, 2,6-diiodobodipy moiety was used as singlet energy donor and the spin converter for triplet state formation, whereas the styrylbodipy was used as singlet and triplet energy acceptors, thus the competition between the ISC and FRET processes is established. The photophysical properties were studied with steady-state UV-vis absorption and fluorescence spectroscopy, electrochemical characterization, and femto/nanosecond time-resolved transient absorption spectroscopies. FRET was confirmed with steady state fluorescence quenching and fluorescence excitation spectra and ultrafast transient absorption spectroscopy (kFRET = 5.0 × 10(10) s(-1)). The singlet oxygen quantum yield (ΦΔ = 0.19) of the dyad was reduced as compared with that of the reference spin converter (2,6-diiodobodipy, ΦΔ = 0.85), thus the ISC was substantially inhibited by FRET. Photoinduced intramolecular electron transfer (ET) was studied by electrochemical data and fluorescence quenching. Intermolecular triplet energy transfer was studied with nanosecond transient absorption spectroscopy as an efficient (ΦTTET = 92%) and fast process (kTTET = 5.2 × 10(4) s(-1)). These results are useful for designing organic triplet photosensitizers and for the study of the photophysical properties.

Ultrafast time-resolved spectroscopy of the light-harvesting complex 2 (LH2) from the photosynthetic bacterium Thermochromatium tepidum.

PubMed

Niedzwiedzki, Dariusz M; Fuciman, Marcel; Kobayashi, Masayuki; Frank, Harry A; Blankenship, Robert E

2011-10-01

The light-harvesting complex 2 from the thermophilic purple bacterium Thermochromatium tepidum was purified and studied by steady-state absorption and fluorescence, sub-nanosecond-time-resolved fluorescence and femtosecond time-resolved transient absorption spectroscopy. The measurements were performed at room temperature and at 10 K. The combination of both ultrafast and steady-state optical spectroscopy methods at ambient and cryogenic temperatures allowed the detailed study of carotenoid (Car)-to-bacteriochlorophyll (BChl) as well BChl-to-BChl excitation energy transfer in the complex. The studies show that the dominant Cars rhodopin (N=11) and spirilloxanthin (N=13) do not play a significant role as supportive energy donors for BChl a. This is related with their photophysical properties regulated by long π-electron conjugation. On the other hand, such properties favor some of the Cars, particularly spirilloxanthin (N=13) to play the role of the direct quencher of the excited singlet state of BChl. © Springer Science+Business Media B.V. 2011

Time-resolved diode laser infrared absorption spectroscopy of the nascent HCl in the infrared laser chemistry of 1,2-dichloro-1,1-difluoroethane

NASA Astrophysics Data System (ADS)

Dietrich, Peter; Quack, Martin; Seyfang, George

1990-04-01

The IR multiphoton excitation and the frequency, fluence and intensity dependence of the IR-laser chemical yields of CF 2ClCH 2Cl have been studied in the fluence range of 1 to 10 J cm -2 yielding a steady-state constant k(st)/ I=0.74×10 6 s -1 MW -1 cm 2 which is approximately independent of intensity. Time-resolved IR absorption spectroscopy with diode laser sources has been used to observe the nascent HCl during the first few 100 ns indicating a population inversion between the levels ν=1, J=4 and ν=2, J=5. At low reactant pressures ( p⩽10 Pa) the time-resolved measurement gives a steady-state rate constant consistent with the theoretical result adjusted to the static yield measurements. The capability of state-selective and time-resolved IR spectroscopy is thus demonstrated, giving real-time determinations of rate constants.

Quasi-steady state reduction of molecular motor-based models of directed intermittent search.

PubMed

Newby, Jay M; Bressloff, Paul C

2010-10-01

We present a quasi-steady state reduction of a linear reaction-hyperbolic master equation describing the directed intermittent search for a hidden target by a motor-driven particle moving on a one-dimensional filament track. The particle is injected at one end of the track and randomly switches between stationary search phases and mobile nonsearch phases that are biased in the anterograde direction. There is a finite possibility that the particle fails to find the target due to an absorbing boundary at the other end of the track. Such a scenario is exemplified by the motor-driven transport of vesicular cargo to synaptic targets located on the axon or dendrites of a neuron. The reduced model is described by a scalar Fokker-Planck (FP) equation, which has an additional inhomogeneous decay term that takes into account absorption by the target. The FP equation is used to compute the probability of finding the hidden target (hitting probability) and the corresponding conditional mean first passage time (MFPT) in terms of the effective drift velocity V, diffusivity D, and target absorption rate λ of the random search. The quasi-steady state reduction determines V, D, and λ in terms of the various biophysical parameters of the underlying motor transport model. We first apply our analysis to a simple 3-state model and show that our quasi-steady state reduction yields results that are in excellent agreement with Monte Carlo simulations of the full system under physiologically reasonable conditions. We then consider a more complex multiple motor model of bidirectional transport, in which opposing motors compete in a "tug-of-war", and use this to explore how ATP concentration might regulate the delivery of cargo to synaptic targets.

Ionizing Shocks in Argon. Part 1: Collisional-Radiative Model and Steady-State Structure (Preprint)

DTIC Science & Technology

2010-09-09

absorption oscillator strength is given by fabsij = gj gi Aji 3γ . (43) Contributions to the parameter γ have been assumed to result from a combination of...discretization, the Saha temperatures of the higher states (green, red and blue solid curves) overshoot Te and relaxes with Th, indicating over

Steady-State Characterization of Bacteriorhodopsin-D85N Photocycle

NASA Technical Reports Server (NTRS)

Timucin, Dogan A.; Downie, John D.; Norvig, Peter (Technical Monitor)

1999-01-01

An operational characterization of the photocycle of the genetic mutant D85N of bacteriorhodopsin, BR-D85N, is presented. Steady-state bleach spectra and pump-probe absorbance data are obtained with thick hydrated films containing BR-D85N embedded in a gelatin host. Simple two- and three-state models are used to analyze the photocycle dynamics and extract relevant information such as pure-state absorption spectra, photochemical-transition quantum efficiencies, and thermal lifetimes of dominant states appearing in the photocycle, the knowledge of which should aid in the analysis of optical recording and retrieval of data in films incorporating this photochromic material. The remarkable characteristics of this material and their implications from the viewpoint of optical data storage and processing are discussed.

Ultrafast photoinduced dynamics of the 3,6-diaminoacridinium derivative ATTO 465 in solution.

PubMed

Arden-Jacob, Jutta; Drexhage, Karl-Heinz; Druzhinin, Sergey I; Ekimova, Maria; Flender, Oliver; Lenzer, Thomas; Oum, Kawon; Scholz, Mirko

2013-02-14

The excited state dynamics of the dye ATTO 465, a well-known fluorescence marker for biological applications, have been characterized in various solvents including THF, ethanol, methanol, water and the highly polar protic ionic liquid 2-hydroxyethylammonium formate (2-OH-EAF) by combining results from time-correlated single-photon counting (TCSPC) and ultrafast pump-supercontinuum probe (PSCP) spectroscopy as well as steady-state absorption and fluorescence. In water, 2-OH-EAF and two fluorinated alcohols, there is a pronounced blue-shift and broadening of the S(0) → S(1) absorption band and also a larger Stokes shift than in the other solvents, indicating a particular influence of hydrogen-bonding interactions. S(1) lifetimes from TCSPC at 25 °C range from 3.3 ns to 5.6 ns. An unusual increase in the S(1) lifetime with temperature is observed for ethanol and methanol, however water behaves in the opposite way. The behavior can be tentatively explained by a solvent- and temperature-dependent "proximity effect", where coupling of the close-lying S(1) and S(2) states influences the intramolecular relaxation rate of the dye. In addition, temperature-dependent complex equilibria of ATTO 465 with solvent molecules may influence the measured lifetimes. Several excited-state absorption (ESA) transitions are identified in the PSCP spectra, which are in good agreement with the position of the UV bands in the steady-state absorption spectra. Small shifts of the stimulated emission and ESA bands are consistent with solvation dynamics in the excited electronic state. An additional ~16 ps component in water, visible over the entire spectral range, is tentatively ascribed to a fast IC channel which is accessed by a fraction of ATTO 465 molecules.

Steady state phosphorus mass balance model during hemodialysis based on a pseudo one-compartment kinetic model.

PubMed

Leypoldt, John K; Agar, Baris U; Akonur, Alp; Gellens, Mary E; Culleton, Bruce F

2012-11-01

Mathematical models of phosphorus kinetics and mass balance during hemodialysis are in early development. We describe a theoretical phosphorus steady state mass balance model during hemodialysis based on a novel pseudo one-compartment kinetic model. The steady state mass balance model accounted for net intestinal absorption of phosphorus and phosphorus removal by both dialysis and residual kidney function. Analytical mathematical solutions were derived to describe time-dependent intradialytic and interdialytic serum phosphorus concentrations assuming hemodialysis treatments were performed symmetrically throughout a week. Results from the steady state phosphorus mass balance model are described for thrice weekly hemodialysis treatment prescriptions only. The analysis predicts 1) a minimal impact of dialyzer phosphorus clearance on predialysis serum phosphorus concentration using modern, conventional hemodialysis technology, 2) variability in the postdialysis-to-predialysis phosphorus concentration ratio due to differences in patient-specific phosphorus mobilization, and 3) the importance of treatment time in determining the predialysis serum phosphorus concentration. We conclude that a steady state phosphorus mass balance model can be developed based on a pseudo one-compartment kinetic model and that predictions from this model are consistent with previous clinical observations. The predictions from this mass balance model are theoretical and hypothesis-generating only; additional prospective clinical studies will be required for model confirmation.

Lymphatic route of transport and pharmacokinetics of Micrurus fulvius (coral snake) venom in sheep.

PubMed

Paniagua, D; Jiménez, L; Romero, C; Vergara, I; Calderón, A; Benard, M; Bernas, M J; Rilo, H; de Roodt, A; D' Suze, G; Witte, M H; Boyer, L; Alagón, A

2012-12-01

The contribution of the lymphatic system to the absorption and systemic bioavailability of Micrurus fulvius venom after subcutaneous (SC) administration was assessed using a central lymph-cannulated sheep model. Micrurus fulvius venom was administered either by intravenous bolus (IV) or subcutaneous injection (SC) in 12 sheep with and without thoracic duct cannulation and drainage. Venom concentration in serum and lymph was determined by a sandwich enzyme-linked immunosorbent assay (ELISA) in samples collected over a 6-hour period and in tissues harvested at the end of the experiment. Pharmacokinetic parameters were determined by a non-compartmental analysis. In the lymphatic cannulated group, over the 6 hours after the venom was administered, 69% of administered dose was accounted for in blood (45%) and lymph (25%). Negligible levels of venom were detected in organs and urine implying that the steady state observed after SC administration is maintained by a slow absorption process. Comparison of kinetics of the thoracic duct cannulated and non-cannulated groups showed that lymphatic absorption contributed in an important way to maintenance of this steady state. These results show that the limiting process in the pharmacokinetics of Micrurus fulvius venom following SC administration is absorption, and that the lymphatic system plays a key role in this process.

Hybrid diffusion-P3 equation in N-layered turbid media: steady-state domain.

PubMed

Shi, Zhenzhi; Zhao, Huijuan; Xu, Kexin

2011-10-01

This paper discusses light propagation in N-layered turbid media. The hybrid diffusion-P3 equation is solved for an N-layered finite or infinite turbid medium in the steady-state domain for one point source using the extrapolated boundary condition. The Fourier transform formalism is applied to derive the analytical solutions of the fluence rate in Fourier space. Two inverse Fourier transform methods are developed to calculate the fluence rate in real space. In addition, the solutions of the hybrid diffusion-P3 equation are compared to the solutions of the diffusion equation and the Monte Carlo simulation. For the case of small absorption coefficients, the solutions of the N-layered diffusion equation and hybrid diffusion-P3 equation are almost equivalent and are in agreement with the Monte Carlo simulation. For the case of large absorption coefficients, the model of the hybrid diffusion-P3 equation is more precise than that of the diffusion equation. In conclusion, the model of the hybrid diffusion-P3 equation can replace the diffusion equation for modeling light propagation in the N-layered turbid media for a wide range of absorption coefficients.

Thermodynamic theory of the plasmoelectric effect

DOE PAGES

van de Groep, Jorik; Sheldon, Matthew T.; Atwater, Harry A.; ...

2016-03-18

Resonant metal nanostructures exhibit an optically induced electrostatic potential when illuminated with monochromatic light under off-resonant conditions. This plasmoelectric effect is thermodynamically driven by the increase in entropy that occurs when the plasmonic structure aligns its resonant absorption spectrum with incident illumination by varying charge density. As a result, the elevated steady-state temperature of the nanostructure induced by plasmonic absorption is further increased by a small amount. Here, we study in detail the thermodynamic theory underlying the plasmoelectric effect by analyzing a simplified model system consisting of a single silver nanoparticle. We find that surface potentials as large as 473more » mV are induced under 100 W/m2 monochromatic illumination, as a result of a 11 mK increases in the steady-state temperature of the nanoparticle. Hence, we discuss the applicability of this analysis for realistic experimental geometries, and show that this effect is generic for optical structures in which the resonance is linked to the charge density.« less

Frequency-domain method for measuring spectral properties in multiple-scattering media: methemoglobin absorption spectrum in a tissuelike phantom

NASA Astrophysics Data System (ADS)

Fishkin, Joshua B.; So, Peter T. C.; Cerussi, Albert E.; Gratton, Enrico; Fantini, Sergio; Franceschini, Maria Angela

1995-03-01

We have measured the optical absorption and scattering coefficient spectra of a multiple-scattering medium (i.e., a biological tissue-simulating phantom comprising a lipid colloid) containing methemoglobin by using frequency-domain techniques. The methemoglobin absorption spectrum determined in the multiple-scattering medium is in excellent agreement with a corrected methemoglobin absorption spectrum obtained from a steady-state spectrophotometer measurement of the optical density of a minimally scattering medium. The determination of the corrected methemoglobin absorption spectrum takes into account the scattering from impurities in the methemoglobin solution containing no lipid colloid. Frequency-domain techniques allow for the separation of the absorbing from the scattering properties of multiple-scattering media, and these techniques thus provide an absolute

Diffusive transport in the presence of stochastically gated absorption

NASA Astrophysics Data System (ADS)

Bressloff, Paul C.; Karamched, Bhargav R.; Lawley, Sean D.; Levien, Ethan

2017-08-01

We analyze a population of Brownian particles moving in a spatially uniform environment with stochastically gated absorption. The state of the environment at time t is represented by a discrete stochastic variable k (t )∈{0 ,1 } such that the rate of absorption is γ [1 -k (t )] , with γ a positive constant. The variable k (t ) evolves according to a two-state Markov chain. We focus on how stochastic gating affects the attenuation of particle absorption with distance from a localized source in a one-dimensional domain. In the static case (no gating), the steady-state attenuation is given by an exponential with length constant √{D /γ }, where D is the diffusivity. We show that gating leads to slower, nonexponential attenuation. We also explore statistical correlations between particles due to the fact that they all diffuse in the same switching environment. Such correlations can be determined in terms of moments of the solution to a corresponding stochastic Fokker-Planck equation.

Photoinduced Charge Shifts and Electron Transfer in Viologen-Tetraphenylborate Complexes: Push-Pull Character of the Exciplex.

PubMed

Santos, Willy G; Budkina, Darya S; Deflon, Victor M; Tarnovsky, Alexander N; Cardoso, Daniel R; Forbes, Malcolm D E

2017-06-14

Viologen-tetraarylborate ion-pair complexes were prepared and investigated by steady-state and time-resolved spectroscopic techniques such as fluorescence and femtosecond transient absorption. The results highlight a charge transfer transition that leads to changes in the viologen structure in the excited singlet state. Femtosecond transient absorption reveals the formation of excited-state absorption and stimulated emission bands assigned to the planar (k obs < 10 12 s -1 ) and twisted (k obs ∼ 10 10 s -1 ) structures between two pyridinium groups in the viologen ion. An efficient photoinduced electron transfer from the tetraphenylborate anionic moiety to the viologen dication was observed less than 1 μs after excitation. This is a consequence of the push-pull character of the electron donor twisted viologen structure, which helps formation of the borate triplet state. The borate triplet state is deactivated further via a second electron transfer process, generating viologen cation radical (V •+ ).

The excited-state decay of 1-methyl-2(1H)-pyrimidinone is an activated process.

PubMed

Ryseck, Gerald; Schmierer, Thomas; Haiser, Karin; Schreier, Wolfgang; Zinth, Wolfgang; Gilch, Peter

2011-07-11

The photophysics of 1-methyl-2(1H)-pyrimidinone (1MP) dissolved in water is investigated by steady-state and time-resolved fluorescence, UV/Vis absorption, and IR spectroscopy. In the experiments, excitation light is tuned to the lowest-energy absorption band of 1MP peaking at 302 nm. At room temperature (291 K) its fluorescence lifetime amounts to 450 ps. With increasing temperature this lifetime decreases and equals 160 ps at 338 K. Internal conversion (IC) repopulating the ground state and intersystem crossing (ISC) to a triplet state are the dominant decay channels of the excited singlet state. At room temperature both channels contribute equally to the decay, that is, the quantum yields of IC and ISC are both approximately 0.5. The temperature dependence of UV/Vis transient absorption signals shows that the activation energy of the IC process (2140 cm(-1)) is higher than that of the ISC process (640 cm(-1)). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of the solvent environment on the spectroscopic properties and dynamics of the lowest excited states of carotenoids

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

Frank, H.A.; Bautista, J.A.; Josue, J.

2000-05-11

The spectroscopic properties and dynamics of the lowest excited singlet states of peridinin, fucoxanthin, neoxanthin, uriolide acetate, spheroidene, and spheroidenone in several different solvents have been studied by steady-state absorption and fast-transient optical spectroscopic techniques. Peridinin, fucoxanthin, uriolide acetate, and spheroidenone, which contain carbonyl functional groups in conjugation with the carbon-carbon {pi}-electron system, display broader absorption spectral features and are affected more by the solvent environment than neoxanthin and spheroidene, which do not contain carbonyl functional groups. The possible sources of the spectral broadening are explored by examining the absorption spectra at 77 K in glassy solvents. Also, carotenoids whichmore » contain carbonyls have complex transient absorption spectra and show a pronounced dependence of the excited singlet state lifetime on the solvent environment. It is postulated that these effects are related to the presence of an intramolecular charge transfer state strongly coupled to the S{sub 1} (2{sup 1}A{sub g}) excited singlet state. Structural variations in the series of carotenoids studied here make it possible to focus on the general molecular features that control the spectroscopic and dynamic properties of carotenoids.« less

Coronal heating by the resonant absorption of Alfven waves - Importance of the global mode and scaling laws

NASA Technical Reports Server (NTRS)

Steinolfson, Richard S.; Davila, Joseph M.

1993-01-01

Numerical simulations of the MHD equations for a fully compressible, low-beta, resistive plasma are used to study the resonance absorption process for the heating of coronal active region loops. Comparisons with more approximate analytic models show that the major predictions of the analytic theories are, to a large extent, confirmed by the numerical computations. The simulations demonstrate that the dissipation occurs primarily in a thin resonance layer. Some of the analytically predicted features verified by the simulations are (a) the position of the resonance layer within the initial inhomogeneity; (b) the importance of the global mode for a large range of loop densities; (c) the dependence of the resonance layer thickness and the steady-state heating rate on the dissipation coefficient; and (d) the time required for the resonance layer to form. In contrast with some previous analytic and simulation results, the time for the loop to reach a steady state is found to be the phase-mixing time rather than a dissipation time. This disagreement is shown to result from neglect of the existence of the global mode in some of the earlier analyses. The resonant absorption process is also shown to behave similar to a classical driven harmonic oscillator.

Heating in Integrable Time-Periodic Systems

NASA Astrophysics Data System (ADS)

Ishii, Takashi; Kuwahara, Tomotaka; Mori, Takashi; Hatano, Naomichi

2018-06-01

We investigate a heating phenomenon in periodically driven integrable systems that can be mapped to free-fermion models. We find that heating to the high-temperature state, which is a typical scenario in nonintegrable systems, can also appear in integrable time-periodic systems; the amount of energy absorption rises drastically near a frequency threshold where the Floquet-Magnus expansion diverges. As the driving period increases, we also observe that the effective temperatures of the generalized Gibbs ensemble for conserved quantities go to infinity. By the use of the scaling analysis, we reveal that, in the limit of infinite system size and driving period, the steady state after a long time is equivalent to the infinite-temperature state. We obtain the asymptotic behavior L-1 and T-2 as to how the steady state approaches the infinite-temperature state as the system size L and the driving period T increase.

Multiphoton-gated cycloreversion reaction of a fluorescent diarylethene derivative as revealed by transient absorption spectroscopy.

PubMed

Nagasaka, Tatsuhiro; Kunishi, Tomohiro; Sotome, Hikaru; Koga, Masafumi; Morimoto, Masakazu; Irie, Masahiro; Miyasaka, Hiroshi

2018-06-07

The one- and two-photon cycloreversion reactions of a fluorescent diarylethene derivative with oxidized benzothiophene moieties were investigated by means of ultrafast laser spectroscopy. Femtosecond transient absorption spectroscopy under the one-photon excitation condition revealed that the excited closed-ring isomer is simply deactivated into the initial ground state with a time constant of 2.6 ns without remarkable cycloreversion, the results of which are consistent with the very low cycloreversion reaction yield (<10-5) under steady-state light irradiation. On the other hand, an efficient cycloreversion reaction was observed under irradiation with a picosecond laser pulse at 532 nm. The excitation intensity dependence of the cycloreversion reaction indicates that a highly excited state attained by the stepwise two-photon absorption is responsible for the marked increase of the cycloreversion reaction, and the quantum yield at the highly excited state was estimated to be 0.018 from quantitative analysis, indicating that the reaction is enhanced by a factor of >1800.

Kerr nonlinearity and nonlinear absorption coefficient in a four-level M-model cylindrical quantum dot under the phenomenon of electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Behroozian, B.; Askari, H. R.

2018-07-01

The Kerr nonlinearity and the nonlinear absorption coefficient in a four-level M-model of a GaAs cylindrical quantum dot (QD) with parabolic potential under electromagnetically induced transparency are investigated. By solving the density matrix equations in the steady-state, the third order susceptibility is obtained. Then, by using the real and imaginary parts of third order susceptibility, the Kerr nonlinearity and the nonlinear absorption coefficient, respectively, for this system are computed. The effects of the radius and height of the cylindrical QD are then investigated. In addition, the effects of the control laser fields on the Kerr nonlinearity and the nonlinear absorption coefficient are investigated.

Phantom Preparation and Optical Property Determination

NASA Astrophysics Data System (ADS)

He, Di; He, Jie; Mao, Heng

2018-12-01

Tissue-like optical phantoms are important in testing new imaging algorithms. Homogeneous optical phantoms with determined optical properties are the first step of making a proper heterogeneous phantom for multi-modality imaging. Typical recipes for such phantoms consist of epoxy resin, hardener, India ink and titanium oxide. By altering the concentration of India ink and titanium oxide, we are able to get multiple homogeneous phantoms with different absorption and scattering coefficients by carefully mixing all the ingredients. After fabricating the phantoms, we need to find their individual optical properties including the absorption and scattering coefficients. This is achieved by solving diffusion equation of each phantom as a homogeneous slab under canonical illumination. We solve the diffusion equation of homogeneous slab in frequency domain and get the formula for theoretical measurements. Under our steady-state diffused optical tomography (DOT) imaging system, we are able to obtain the real distribution of the incident light produced by a laser. With this source distribution we got and the formula we derived, numerical experiments show how measurements change while varying the value of absorption and scattering coefficients. Then we notice that the measurements alone will not be enough for us to get unique optical properties for steady-state DOT problem. Thus in order to determine the optical properties of a homogeneous slab we want to fix one of the coefficients first and use optimization methods to find another one. Then by assemble multiple homogeneous slab phantoms with different optical properties, we are able to obtain a heterogeneous phantom suitable for testing multi-modality imaging algorithms. In this paper, we describe how to make phantoms, derive a formula to solve the diffusion equation, demonstrate the non-uniqueness of steady-state DOT problem by analysing some numerical results of our formula, and finally propose a possible way to determine optical properties for homogeneous slab for our future work.

Real Time Diagnostics of Jet Engine Exhaust Plumes Using a Chirped QC Laser Spectrometer

NASA Astrophysics Data System (ADS)

Hay, K. G.; Duxbury, G.; Langford, N.

2010-06-01

Quantitative measurements of real-time variations of the chemical composition of a jet engine exhaust plume is demonstrated using a 4.86 μmn intra-pulse quantum cascade laser spectrometer. The measurements of the gas turbine exhaust were carried out in collaboration with John Black and Mark Johnson at Rolls Royce. The recording of five sets of averaged spectra a second has allowed us to follow the build up of the combustion products within the exhaust, and to demonstrate the large variation of the integrated absorption of these absorption lines with temperature. The absorption cross sections of the lines of both carbon monoxide and water increase with temperature, whereas those of the three main absorption lines of carbon dioxide decrease. At the steady state limit the absorption lines of carbon dioxide are barely visible, and the spectrum is dominated by absorption lines of carbon monoxide and water.

An electrochemical and photophysical study of a covalently linked inorganic-organic dyad.

PubMed

Kahnt, Axel; Heiniger, Leo-Philipp; Liu, Shi-Xia; Tu, Xiaoyan; Zheng, Zhiping; Hauser, Andreas; Decurtins, Silvio; Guldi, Dirk M

2010-02-22

A molecular donor-acceptor dyad comprising a hexarhenium cluster core, [Re(6)(mu(3)-Se)(8)](2+), and a fullerene moiety which are covalently linked through a pyridine ligand was synthesized and fully characterized. The electrochemical and photophysical properties are reported. The detailed study includes cyclic voltammetry, steady-state absorption and fluorescence spectroscopy, radiation chemistry and transient absorption spectroscopy. A light-induced electron transfer between the inorganic cluster moiety and the fullerene can be excluded. However, a light-induced energy transfer from the rhenium cluster to the fullerene is proposed.

Gold nanostars as thermoplasmonic nanoparticles for optical heating.

PubMed

Rodríguez-Oliveros, R; Sánchez-Gil, José A

2012-01-02

Gold nanostars are theoretically studied as efficient thermal heaters at their corresponding localized surface-plasmon resonances (LSPRs). Numerical calculations are performed through the 3D Green's Theorem method to obtain the absorption and scattering cross sections for Au nanoparticles with star-like shape of varying symmetry and tip number. Their unique thermoplasmonic properties, with regard to their (red-shifted) LSPR wavelentgh, (∼ 30-fold increase) steady-state temperature, and scattering/absorption cross section ratios, make them specially suitable for optical heating and in turn for cancer thermal therapy.

Designing of an artificial light energy converter in the form of short-chain dyad when combined with core-shell gold/silver nanocomposites.

PubMed

Dutta Pal, Gopa; Paul, Somnath; Bardhan, Munmun; De, Asish; Ganguly, Tapan

2017-06-05

UV-vis absorption, steady state and time resolved fluorescence and absorption spectroscopic investigations demonstrate that the short chain dyad MNTMA when combined with gold-silver core-shell (Au@Ag) nanocomposite , forms elongated conformers in the excited state whereas for the dyad - Ag (spherical) system the majority of dyads remains in a folded conformation. In the dyad-core-shell nanocomposite system, energy wasting charge recombination rate slows down primarily due to elongated conformation and thus it may be anticipated that this hybrid nanocomposite system may serve as a better light energy conversion device. Copyright © 2017 Elsevier B.V. All rights reserved.

Spectral and photophysical properties of intramolecular charge transfer fluorescence probe: 4'-Dimethylamino-2,5-dihydroxychalcone

NASA Astrophysics Data System (ADS)

Xu, Zhicheng; Bai, Guan; Dong, Chuan

2005-12-01

The spectral and photophysical properties of a new intramolecular charge transfer (ICT) probe, namely 4'-dimethylamino-2,5-dihydroxychalcone (DMADHC) were studied in different solvents by using steady-state absorption and emission spectroscopy. Whereas the absorption spectrum undergoes minor change with increasing polarity of the solvents, the fluorescence spectrum experiences a distinct bathochromic shift in the band position and the fluorescence quantum yield increases reaching a maximum before decrease with increasing the solvent polarity. The magnitude of change in the dipole moment was calculated based on the Lippert-Mataga equation. These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

Spectral and photophysical properties of intramolecular charge transfer fluorescence probe: 4'-dimethylamino-2,5-dihydroxychalcone.

PubMed

Xu, Zhicheng; Bai, Guan; Dong, Chuan

2005-12-01

The spectral and photophysical properties of a new intramolecular charge transfer (ICT) probe, namely 4'-dimethylamino-2,5-dihydroxychalcone (DMADHC) were studied in different solvents by using steady-state absorption and emission spectroscopy. Whereas the absorption spectrum undergoes minor change with increasing polarity of the solvents, the fluorescence spectrum experiences a distinct bathochromic shift in the band position and the fluorescence quantum yield increases reaching a maximum before decrease with increasing the solvent polarity. The magnitude of change in the dipole moment was calculated based on the Lippert-Mataga equation. These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

Photophysical properties and photoisomerization processes of Methyl Red embedded in rigid polymer

NASA Astrophysics Data System (ADS)

Lee, Geon Joon; Kim, Dongho; Lee, Minyung

1995-01-01

The photophysical properties of Methyl Red molecules embedded in a poly(methyl methacrylate) (PMMA) matrix were investigated with photoinduced absorption, absorption kinetics, steady-state, and time-resolved luminescence spectroscopy. The excited singlet (S1) state lifetimes for trans and cis isomers of Methyl Red in PMMA at room temperature have been measured as 35 and 420 ps, respectively. The excited triplet (T1) state energy level and its lifetime at 77 K were also obtained. A slow trans-cis isomerization process having a time constant of a few hundred seconds was observed for the illuminated Methyl Red in rigid polymer. Based on measured photophysical properties and dynamic processes, an energy-level diagram for Methyl Red molecules in rigid polymer is introduced to explain these observations.

Pulsatile and steady-state hemodynamics of the human patella bone by diffuse optical spectroscopy.

PubMed

Farzam, Parisa; Zirak, Peyman; Binzoni, Tiziano; Durduran, Turgut

2013-08-01

The cardiac cycle related pulsatile behavior of the absorption and scattering coefficients of diffuse light and the corresponding alterations in hemoglobin concentrations in the human patella was studied. The pulsations in scattering is considerably smaller than absorption. The difference in amplitude of absorption coefficient pulsations for different wavelengths was translated to pulsations in oxygenated and deoxygenated hemoglobin, which leads to strong pulsations in the total hemoglobin concentration and oxygen saturation. The physiological origin of the observed signals was confirmed by applying a thigh-cuff. Moreover, we have investigated the optical and physiological properties of the patella bone and their changes in response to arterial cuff occlusion.

Computational studies of steady-state sound field and reverberant sound decay in a system of two coupled rooms

NASA Astrophysics Data System (ADS)

Meissner, Mirosław

2007-09-01

The acoustical properties of an irregularly shaped room consisting of two connected rectangular subrooms were studied. An eigenmode method supported by a numerical implementation has been used to predict acoustic characteristics of the coupled system, such as the distribution of the sound pressure in steady-state and the reverberation time. In the theoretical model a low-frequency limit was considered. In this case the eigenmodes are lightly damped, thusthey were approximated by normal acoustic modes of a hard-walled room. The eigenfunctions and eigenfrequencies were computed numerically via application of a forced oscillator method with a finite difference algorithm. The influence of coupling between subrooms on acoustic parameters of the enclosure was demonstrated in numerical simulations where different distributions of absorbing materials on the walls of the subrooms and various positions of the sound source were assumed. Calculation results have shown that for large differences in the absorption coefficient in the subrooms the effect of modal localization contributes to peaks of RMS pressure in steady-state and a large increase in the reverberation time.

In vitro percutaneous absorption enhancement of granisetron by chemical penetration enhancers.

PubMed

Zhao, Nanxi; Cun, Dongmei; Li, Wei; Ma, Xu; Sun, Lin; Xi, Honglei; Li, Li; Fang, Liang

2013-04-01

Granisetron (GRN), a potent antiemetic agent, is frequently used to prevent nausea and vomiting induced by cancer cytotoxic chemotherapy and radiation therapy. As part of our efforts to further modify the physicochemical properties of this market drug, with the ultimate goal to formulate a better dosage form for GRN, this work was carried out to improve its permeability in vitro. The permeation behavior of GRN in isopropyl myristate (IPM) was investigated across excised rabbit abdominal skin and the enhancing activities of three novel O-acylmenthol derivatives synthesized in our laboratory as well as five well-known chemical enhancers were evaluated. It was found that the steady-state flux of granisetron free base (GRN-B) was about 26-fold higher than that of granisetron hydrochloride (GRN-H). The novel enhancer, 2-isopropyl-5-methylcyclohexyl heptanoate (M-HEP), was observed to provide the most significant enhancement for the absorption of GRN-B. When incorporated in the donor solution with the optimal enhancer M-HEP, the steady-state flux of GRN-B increased from (196.44 ± 12.03) μg·cm⁻²·h⁻¹ to (1044.95 ± 71.99) μg·cm⁻²·h⁻¹ (P < 0.01). These findings indicated that the application of chemical enhancers was an effective approach to increase the percutaneous absorption of GRN in vitro.

Population pharmacokinetic modelling of tramadol using inverse Gaussian function for the assessment of drug absorption from prolonged and immediate release formulations.

PubMed

Brvar, Nina; Mateović-Rojnik, Tatjana; Grabnar, Iztok

2014-10-01

This study aimed to develop a population pharmacokinetic model for tramadol that combines different input rates with disposition characteristics. Data used for the analysis were pooled from two phase I bioavailability studies with immediate (IR) and prolonged release (PR) formulations in healthy volunteers. Tramadol plasma concentration-time data were described by an inverse Gaussian function to model the complete input process linked to a two-compartment disposition model with first-order elimination. Although polymorphic CYP2D6 appears to be a major enzyme involved in the metabolism of tramadol, application of a mixture model to test the assumption of two and three subpopulations did not reveal any improvement of the model. The final model estimated parameters with reasonable precision and was able to estimate the interindividual variability of all parameters except for the relative bioavailability of PR vs. IR formulation. Validity of the model was further tested using the nonparametric bootstrap approach. Finally, the model was applied to assess absorption kinetics of tramadol and predict steady-state pharmacokinetics following administration of both types of formulations. For both formulations, the final model yielded a stable estimate of the absorption time profiles. Steady-state simulation supports switching of patients from IR to PR formulation. Copyright © 2014 Elsevier B.V. All rights reserved.

Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria.

PubMed

Cong, Hong; Niedzwiedzki, Dariusz M; Gibson, George N; LaFountain, Amy M; Kelsh, Rhiannon M; Gardiner, Alastair T; Cogdell, Richard J; Frank, Harry A

2008-08-28

Steady-state and ultrafast time-resolved optical spectroscopic investigations have been carried out at 293 and 10 K on LH2 pigment-protein complexes isolated from three different strains of photosynthetic bacteria: Rhodobacter (Rb.) sphaeroides G1C, Rb. sphaeroides 2.4.1 (anaerobically and aerobically grown), and Rps. acidophila 10050. The LH2 complexes obtained from these strains contain the carotenoids, neurosporene, spheroidene, spheroidenone, and rhodopin glucoside, respectively. These molecules have a systematically increasing number of pi-electron conjugated carbon-carbon double bonds. Steady-state absorption and fluorescence excitation experiments have revealed that the total efficiency of energy transfer from the carotenoids to bacteriochlorophyll is independent of temperature and nearly constant at approximately 90% for the LH2 complexes containing neurosporene, spheroidene, spheroidenone, but drops to approximately 53% for the complex containing rhodopin glucoside. Ultrafast transient absorption spectra in the near-infrared (NIR) region of the purified carotenoids in solution have revealed the energies of the S1 (2(1)Ag-)-->S2 (1(1)Bu+) excited-state transitions which, when subtracted from the energies of the S0 (1(1)Ag-)-->S2 (1(1)Bu+) transitions determined by steady-state absorption measurements, give precise values for the positions of the S1 (2(1)Ag-) states of the carotenoids. Global fitting of the ultrafast spectral and temporal data sets have revealed the dynamics of the pathways of de-excitation of the carotenoid excited states. The pathways include energy transfer to bacteriochlorophyll, population of the so-called S* state of the carotenoids, and formation of carotenoid radical cations (Car*+). The investigation has found that excitation energy transfer to bacteriochlorophyll is partitioned through the S1 (1(1)Ag-), S2 (1(1)Bu+), and S* states of the different carotenoids to varying degrees. This is understood through a consideration of the energies of the states and the spectral profiles of the molecules. A significant finding is that, due to the low S1 (2(1)Ag-) energy of rhodopin glucoside, energy transfer from this state to the bacteriochlorophylls is significantly less probable compared to the other complexes. This work resolves a long-standing question regarding the cause of the precipitous drop in energy transfer efficiency when the extent of pi-electron conjugation of the carotenoid is extended from ten to eleven conjugated carbon-carbon double bonds in LH2 complexes from purple photosynthetic bacteria.

High frequency RF waves

NASA Astrophysics Data System (ADS)

Horton, William; Brookman, M.; Goniche, M.; Peysson, Y.; Ekedahl, A.

2017-10-01

ECH and LHCD- are scattered by the density and magnetic field turbulence from drift waves as measured in and Tore Supra-WEST, EAST and DIII-D. Ray equations give the spreading from plasma refraction from the antenna through the core plasma until and change the parallel phase velocity evolves to where RF waves are absorbed by the electrons. Extensive LH ray tracing and absorption has been reported using the coupled CP3O ray tracing and LUKE electron phase space density code with collisionless electron-wave resonant absorption. In theory and simulations are shown for the ray propagation with the resulting electron distributions along with the predicted X ray distribution that compared to the measured X-ray spectrum. Lower-hybrid is essential for steady-state operation in tokamaks with control of the high-energy electrons intrinsic to tokamaks confinement and heating. The record steady tokamak plasma is Tore Supra a steady 6 minute steady state plasma with 1 Gigajoule energy passing through the plasma. WEST is repeating the experiments with ITER shaped separatrix and divertor chamber and EAST achieved comparable long-pulse plasmas. Results are presented from an IFS-3D spectral code with a pair of inside-outside LHCD antennas and a figure-8 magnetic separatrix are presented. Scattering of the slow wave into the fast wave wave is explored showing the RF scattering from drift wave dne and dB increases the core penetration may account the measured broad X-ray spectrum. Work supported by the DoE through Grants to the Institute for Fusion Studies [DE-FG02-04ER54742], ARLUT and General Atomics, San Diego, California, USA and the IRFM at Cadarache by the Comissariat Energie Atomique, France.

Red Phosphorescence from Benzo[2,1,3]thiadiazoles at Room Temperature.

PubMed

Gutierrez, Gregory D; Sazama, Graham T; Wu, Tony; Baldo, Marc A; Swager, Timothy M

2016-06-03

We describe the red phosphorescence exhibited by a class of structurally simple benzo[2,1,3]thiadiazoles at room temperature. The photophysical properties of these molecules in deoxygenated cyclohexane, including their absorption spectra, steady-state photoluminescence and excitation spectra, and phosphorescence lifetimes, are presented. Time-dependent density functional theory calculations were carried out to better understand the electronic excited states of these benzo[2,1,3]thiadiazoles and why they are capable of phosphorescence.

Characterization of the intramolecular transfer state of marine carotenoid fucoxanthin by femtosecond pump-probe spectroscopy.

PubMed

Kosumi, Daisuke; Fujii, Ritsuko; Sugisaki, Mitsuru; Oka, Naohiro; Iha, Masahiko; Hashimoto, Hideki

2014-07-01

Fucoxanthin, containing a carbonyl group in conjugation with its polyene backbone, is a naturally occurring pigment in marine organisms and is essential to the photosynthetic light-harvesting function in brown alga and diatom. Fucoxanthin exhibits optical characteristics attributed to an intramolecular charge transfer (ICT) state that arises in polar environments due to the presence of the carbonyl group. In this study, we report the spectroscopic properties of fucoxanthin in methanol (polar and protic solvent) observed by femtosecond pump-probe measurements in the near-infrared region, where transient absorption associated with the optically allowed S2 (1(1)B u (+) ) state and stimulated emission from the strongly coupled S1/ICT state were observed following one-photon excitation to the S2 state. The results showed that the amplitude of the stimulated emission of the S1/ICT state increased with decreasing excitation energy, demonstrating that the fucoxanthin form associated with the lower energy of the steady-state absorption exhibits stronger ICT character.

Dynamin2, Clathrin, and Lipid Rafts Mediate Endocytosis of the Apical Na/K/2Cl Cotransporter NKCC2 in Thick Ascending Limbs*

PubMed Central

Ares, Gustavo R.; Ortiz, Pablo A.

2012-01-01

Steady-state surface levels of the apical Na/K/2Cl cotransporter NKCC2 regulate NaCl reabsorption by epithelial cells of the renal thick ascending limb (THAL). We reported that constitutive endocytosis of NKCC2 controls NaCl absorption in native THALs; however, the pathways involved in NKCC2 endocytosis are unknown. We hypothesized that NKCC2 endocytosis at the apical surface depends on dynamin-2 and clathrin. Measurements of steady-state surface NKCC2 and the rate of NKCC2 endocytosis in freshly isolated rat THALs showed that inhibition of endogenous dynamin-2 with dynasore blunted NKCC2 endocytosis by 56 ± 11% and increased steady-state surface NKCC2 by 67 ± 27% (p < 0.05). Expression of the dominant negative Dyn2K44A in THALs slowed the rate of NKCC2 endocytosis by 38 ± 8% and increased steady-state surface NKCC2 by 37 ± 8%, without changing total NKCC2 expression. Inhibition of clathrin-mediated endocytosis with chlorpromazine blunted NKCC2 endocytosis by 54 ± 6%, while preventing clathrin from interacting with synaptojanin also blunted NKCC2 endocytosis by 52 ± 5%. Disruption of lipid rafts blunted NKCC2 endocytosis by 39 ± 4% and silencing caveolin-1 by 29 ± 4%. Simultaneous inhibition of clathrin- and lipid raft-mediated endocytosis completely blocked NKCC2 internalization. We concluded that dynamin-2, clathrin, and lipid rafts mediate NKCC2 endocytosis and maintain steady-state apical surface NKCC2 in native THALs. These are the first data identifying the endocytic pathway for apical NKCC2 endocytosis. PMID:22977238

Quantum speed limit constraints on a nanoscale autonomous refrigerator

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Chiranjib; Misra, Avijit; Bhattacharya, Samyadeb; Pati, Arun Kumar

2018-06-01

Quantum speed limit, furnishing a lower bound on the required time for the evolution of a quantum system through the state space, imposes an ultimate natural limitation to the dynamics of physical devices. Quantum absorption refrigerators, however, have attracted a great deal of attention in the past few years. In this paper, we discuss the effects of quantum speed limit on the performance of a quantum absorption refrigerator. In particular, we show that there exists a tradeoff relation between the steady cooling rate of the refrigerator and the minimum time taken to reach the steady state. Based on this, we define a figure of merit called "bounding second order cooling rate" and show that this scales linearly with the unitary interaction strength among the constituent qubits. We also study the increase of bounding second-order cooling rate with the thermalization strength. We subsequently demonstrate that coherence in the initial three qubit system can significantly increase the bounding second-order cooling rate. We study the efficiency of the refrigerator at maximum bounding second-order cooling rate and, in a limiting case, we show that the efficiency at maximum bounding second-order cooling rate is given by a simple formula resembling the Curzon-Ahlborn relation.

Tuning optical and three photon absorption properties in graphene oxide-polyvinyl alcohol free standing films

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

Karthikeyan, B., E-mail: bkarthik@nitt.edu; Hariharan, S.; Udayabhaskar, R.

2016-07-11

We report the optical and nonlinear optical properties of graphene oxide (GO)-polyvinyl alcohol (PVA) free standing films. The composite polymer films were prepared in ex-situ method. The variation in optical absorption spectra and optical constants with the amount of GO loading was noteworthy from the optical absorption spectroscopic studies. Nonlinear optical studies done at 532 nm using 5 ns laser pulses show three photon absorption like behaviour. Both steady state and time resolved fluorescence studies reveal that the GO was functioning as a pathway for the decay of fluorescence from PVA. This is attributed to the energy level modifications of GO throughmore » hydroxyl groups with PVA. Raman spectroscopy also supports the interaction between GO and PVA ions through OH radicals.« less

Laser absorption phenomena in flowing gas devices

NASA Technical Reports Server (NTRS)

Chapman, P. K.; Otis, J. H.

1976-01-01

A theoretical and experimental investigation is presented of inverse Bremsstrahlung absorption of CW CO2 laser radiation in flowing gases seeded with alkali metals. In order to motivate this development, some simple models are described of several space missions which could use laser powered rocket vehicles. Design considerations are given for a test call to be used with a welding laser, using a diamond window for admission of laser radiation at power levels in excess of 10 kW. A detailed analysis of absorption conditions in the test cell is included. The experimental apparatus and test setup are described and the results of experiments presented. Injection of alkali seedant and steady state absorption of the laser radiation were successfully demonstrated, but problems with the durability of the diamond windows at higher powers prevented operation of the test cell as an effective laser powered thruster.

Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory

PubMed Central

Novoderezhkin, Vladimir I.; Doust, Alexander B.; Curutchet, Carles; Scholes, Gregory D.; van Grondelle, Rienk

2010-01-01

Abstract We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex. PMID:20643051

Interrelations between random walks on diagrams (graphs) with and without cycles.

PubMed

Hill, T L

1988-05-01

Three topics are discussed. A discrete-state, continuous-time random walk with one or more absorption states can be studied by a presumably new method: some mean properties, including the mean time to absorption, can be found from a modified diagram (graph) in which each absorption state is replaced by a one-way cycle back to the starting state. The second problem is a random walk on a diagram (graph) with cycles. The walk terminates on completion of the first cycle. This walk can be replaced by an equivalent walk on a modified diagram with absorption. This absorption diagram can in turn be replaced by another modified diagram with one-way cycles back to the starting state, just as in the first problem. The third problem, important in biophysics, relates to a long-time continuous walk on a diagram with cycles. This diagram can be transformed (in two steps) to a modified, more-detailed, diagram with one-way cycles only. Thus, the one-way cycle fluxes of the original diagram can be found from the state probabilities of the modified diagram. These probabilities can themselves be obtained by simple matrix inversion (the probabilities are determined by linear algebraic steady-state equations). Thus, a simple method is now available to find one-way cycle fluxes exactly (previously Monte Carlo simulation was required to find these fluxes, with attendant fluctuations, for diagrams of any complexity). An incidental benefit of the above procedure is that it provides a simple proof of the one-way cycle flux relation Jn +/- = IIn +/- sigma n/sigma, where n is any cycle of the original diagram.

Structural and photophysical properties of (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-1-yl) prop-2-en-1-one (DPNP) in different media.

PubMed

Pannipara, Mehboobali; Asiri, Abdullah M; Alamry, Khalid A; Salem, Ibrahim A; El-Daly, Samy A

2015-01-01

The spectral and photophysical properties of a new chalcone derivative (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-1-yl) prop-2-en-1-one (DPNP) containing donor-acceptor group has been synthesized and characterized on the basis of the spectral (IR, (1)HNMR & (13)C NMR) and X- ray crystallographic data. The effect of solvents on photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of DPNP have been investigated comprehensively. Significant red shift was observed in the emission spectrum of DPNP compared to the absorption spectrum upon increasing the solvent polarity, indicating a higher dipole moment in the excited state than in the ground state. The difference between the excited and ground state dipole moments (Δμ) were obtained from Lippert-Mataga and Reichardts correlations by means of solvatochromic shift method. The effects of medium acidity on the electronic absorption and emission spectra of DPNP were studied. The interaction of DPNP with colloidal silver nanoparticles (AgNPs) was also studied in ethanol and ethylene glycol using steady state fluorescence quenching measurements. The fluorescence quenching data reveal that dynamic quenching and energy transfer play a major role in the fluorescence quenching of DPNP by Ag NPs.

Ultrafast time-resolved spectroscopy of lead halide perovskite films

NASA Astrophysics Data System (ADS)

Idowu, Mopelola A.; Yau, Sung H.; Varnavski, Oleg; Goodson, Theodore

2015-09-01

Recently, lead halide perovskites which are organic-inorganic hybrid structures, have been discovered to be highly efficient as light absorbers. Herein, we show the investigation of the excited state dynamics and emission properties of non-stoichiometric precursor formed lead halide perovskites grown by interdiffusion method using steady-state and time-resolved spectroscopic measurements. The influence of the different ratios of the non-stoichiometric precursor solution was examined. The observed photoluminescence properties were correlated with the femtosecond transient absorption measurements.

Red phosphorescence from benzo[2,1,3]thiadiazoles at room temperature

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

Gutierrez, Gregory D.; Sazama, Graham T.; Wu, Tony

2016-05-23

In this paper, we describe the red phosphorescence exhibited by a class of structurally simple benzo[2,1,3]thiadiazoles at room temperature. The photophysical properties of these molecules in deoxygenated cyclohexane, including their absorption spectra, steady-state photoluminescence and excitation spectra, and phosphorescence lifetimes, are presented. Finally, time-dependent density functional theory calculations were carried out to better understand the electronic excited states of these benzo[2,1,3]thiadiazoles and why they are capable of phosphorescence.

Luminescence Probe Studies of Ionomers. I. Steady-State Measurements from Nafion Membrane.

DTIC Science & Technology

1985-02-03

Bu4N+ was monitored by titrating the released protons with NaOH. Bu4N+ uptake by Na+ membranes was assumed to be the same as uptake by acidic form...spaced excited states (21). Because of their solvent sensitivity, 1,5-DNS derivatives may also be used as polarity probes (20). The acid -base... acid . The basic (unprotonated) form of the DNS derivative used here (DA+ ) shows *absorption maxima at ca. 325 and 245 nm (aqueous solution, pH 6.8

Measurement and modeling of ozone and nitrogen oxides produced by laser breakdown in oxygen-nitrogen atmospheres.

PubMed

Gornushkin, Igor B; Stevenson, Chris L; Galbács, Gábor; Smith, Ben W; Winefordner, James D

2003-11-01

The production of ozone nad nitrogen oxides was studied during multiple laser breakdown in oxygen-nitrogen mixtures at atmospheric pressure. About 2000 laser shots at 10(10) W cm-2 were delivered into a sealed reaction chamber. The chamber with a long capillary was designed to measure absorption of O3, NO, and NO2 as a function of the number of laser shots. The light source for absorption measurements was the continuum radiation emitted by the plasma during the first 0.2 microsecond of its evolution. A kinetic model was developed that encompassed the principal chemical reactions between the major atmospheric components and the products of laser breakdown. In the model, the laser plasma was treated as a source of nitric oxide and atomic oxygen, whose rates of production were calculated using measured absorption by NO, NO2, and O3. The calculated concentration profiles for NO, NO2, and O3 were in good agreement with measured profiles over a time scale of 0-200 s. The steady-state concentration of ozone was measured in a flow cell in air. For a single breakdown in air, the estimated steady-state yield of ozone was 2 x 10(12) molecules, which agreed with the model prediction. This study can be of importance for general understanding of laser plasma chemistry and for elucidating the nature of spectral interferences and matrix effects that may take place in applied spectrochemical analysis.

Picosecond activation of the DEACM photocage unravelled by VIS-pump-IR-probe spectroscopy.

PubMed

van Wilderen, L J G W; Neumann, C; Rodrigues-Correia, A; Kern-Michler, D; Mielke, N; Reinfelds, M; Heckel, A; Bredenbeck, J

2017-03-01

The light-induced ultrafast uncaging process of the [7-(diethylamino)coumarin-4-yl]methyl (DEACM) cage is measured by time-resolved visible-pump-infrared-probe spectroscopy, and supported by steady-state absorption spectroscopy in the visible and infrared spectral regions. Understanding the uncaging process is important because its favorable properties make DEACM an interesting case for chemical and biological applications. It has a convenient absorption in the visible spectral range, and is relatively easily modified to carry leaving groups (LGs) such as nucleotides, substrates or inhibitors, which are inactive when bound and active when released. Previous work suggested a lower limit for the uncaging rate, which places it among the fastest available cages. Here, we determine the photodissociation directly to occur on the picosecond time scale by monitoring the appearance of the released LG in the infrared spectral region. In the present study, azide (N 3 ) is chosen as an LG to monitor photodissociation because its vibrational mode is spectrally isolated (hence easy to follow) and its absorption wavenumber is sensitive to local structural rearrangements. The uncaging process is recorded up to 3 nanoseconds and compared to the collected steady-state spectra. The free LG appears on a picosecond time scale, rendering this one of the fastest known cages. No evidence is found for a tight-ion pair (TIP) preceding the free LG. The uncaging mechanism is found to be slowed down upon the addition of water to acetonitrile.

Radiant energy absorption studies for laser propulsion. [gas dynamics

NASA Technical Reports Server (NTRS)

Caledonia, G. E.; Wu, P. K. S.; Pirri, A. N.

1975-01-01

A study of the energy absorption mechanisms and fluid dynamic considerations for efficient conversion of high power laser radiation into a high velocity flow is presented. The objectives of the study are: (1) to determine the most effective absorption mechanisms for converting laser radiation into translational energy, and (2) to examine the requirements for transfer of the absorbed energy into a steady flow which is stable to disturbances in the absorption zone. A review of inverse Bremsstrahlung, molecular and particulate absorption mechanisms is considered and the steady flow and stability considerations for conversion of the laser power to a high velocity flow in a nozzle configuration is calculated. A quasi-one-dimensional flow through a nozzle was formulated under the assumptions of perfect gas.

High-Speed Research: 1994 Sonic Boom Workshop: Atmospheric Propagation and Acceptability Studies

NASA Technical Reports Server (NTRS)

Mccurdy, David A. (Editor)

1994-01-01

The workshop proceedings include papers on atmospheric propagation and acceptability studies. Papers discussing atmospheric effects on the sonic boom waveform addressed several issues. It has long been assumed that the effects of molecular relaxation are adequately accounted for by assuming that a steady state balance between absorption and nonlinear wave steepening exists. It was shown that the unsteadiness induced by the nonuniform atmosphere precludes attaining this steady state. Further, it was shown that the random atmosphere acts as a filter, effectively filtering out high frequency components of the distorted waveform. Several different propagation models were compared, and an analysis of the sonic boom at the edge of the primary carpet established that the levels there are bounded. Finally, a discussion of the levels of the sonic boom below the sea surface was presented.

40 CFR 85.2233 - Steady state test equipment calibrations, adjustments, and quality control-EPA 91.

Code of Federal Regulations, 2013 CFR

2013-07-01

... tolerance range. The pressure in the sample cell must be the same with the calibration gas flowing during... this chapter. The check is done at 30 mph (48 kph), and a power absorption load setting to generate a... in § 85.2225(c)(1) are not met. (2) Leak checks. Each time the sample line integrity is broken, a...

40 CFR 85.2233 - Steady state test equipment calibrations, adjustments, and quality control-EPA 91.

Code of Federal Regulations, 2011 CFR

2011-07-01

... tolerance range. The pressure in the sample cell must be the same with the calibration gas flowing during... this chapter. The check is done at 30 mph (48 kph), and a power absorption load setting to generate a... in § 85.2225(c)(1) are not met. (2) Leak checks. Each time the sample line integrity is broken, a...

40 CFR 85.2233 - Steady state test equipment calibrations, adjustments, and quality control-EPA 91.

Code of Federal Regulations, 2012 CFR

2012-07-01

... tolerance range. The pressure in the sample cell must be the same with the calibration gas flowing during... this chapter. The check is done at 30 mph (48 kph), and a power absorption load setting to generate a... in § 85.2225(c)(1) are not met. (2) Leak checks. Each time the sample line integrity is broken, a...

Randomized structured triglycerides increase lymphatic absorption of tocopherol and retinol compared with the equivalent physical mixture in a rat model of fat malabsorption.

PubMed

Tso, P; Lee, T; DeMichele, S J

2001-08-01

Previously we demonstrated that the digestion, absorption and lymphatic transport of lipid and key essential fatty acids (EFA) from randomly interesterified fish oil/medium-chain structured triglycerides (STG) were significantly higher than an equivalent physical mixture (PM) in a normal lymph fistula rat model and in a rat model of lipid malabsorption caused by ischemia/reperfusion (I/R) injury. The goals of this study were to further explore the potential absorptive benefits of STG by comparing the intestinal absorption and lymphatic transport of tocopherol and retinol when delivered gastrically with either STG or PM under normal conditions and after I/R injury to the small bowel. Food-deprived male Sprague-Dawley rats were randomly assigned to two treatments (sham controls or I/R). Under halothane anesthesia, the superior mesenteric artery (SMA) was occluded for 20 min and then reperfused in I/R rats. The SMA was isolated but not occluded in control rats. In both groups, the mesenteric lymph duct was cannulated and a gastric tube was inserted. Each treatment group received 1 mL of the fish oil/MCT STG or PM (7 rats/group) along with (14)C-alpha-tocopherol and (3)H-retinol through the gastric tube followed by an infusion of PBS at 3 mL/h for 8 h. Lymph was collected hourly for 8 h. Under steady-state conditions, the amount of (14)C-alpha-tocopherol and (3)H-retinol transported into lymph was significantly higher in the STG-fed rats compared with those fed PM in both control and I/R groups. In addition, control and I/R rats given STG had earlier steady-state outputs of (14)C-alpha-tocopherol and (3)H-retinol and maintained approximately 30% higher outputs in lymph throughout the 8-h lymph collection period compared with rats given the PM. We conclude that STG provides the opportunity to potentiate improved absorption of fat-soluble vitamins under normal and malabsorptive states.

The Effect of Simulated Lunar Dust on the Absorptivity, Emissivity, and Operating Temperature on AZ-93 and Ag/FEP Thermal Control Surfaces

NASA Technical Reports Server (NTRS)

Gaier, James R.; Siamidis, John; Panko, Scott R.; Rogers, Kerry J.; Larkin, Elizabeth M. G.

2008-01-01

JSC-1AF lunar simulant has been applied to AZ-93 and AgFEP thermal control surfaces on aluminum or composite substrates in a simulated lunar environment. The temperature of these surfaces was monitored as they were heated with a solar simulator and cooled in a 30 K coldbox. Thermal modeling was used to determine the absorptivity ( ) and emissivity ( ) of the thermal control surfaces in both their clean and dusted states. Then, a known amount of power was applied to the samples while in the coldbox and the steady state temperatures measured. It was found that even a submonolayer of simulated lunar dust can significantly degrade the performance of both white paint and second-surface mirror type thermal control surfaces under these conditions. Contrary to earlier studies, dust was found to affect as well as . Dust lowered the emissivity by as much as 16 percent in the case of AZ-93, and raised it by as much as 11 percent in the case of AgFEP. The degradation of thermal control surface by dust as measured by / rose linearly regardless of the thermal control coating or substrate, and extrapolated to degradation by a factor 3 at full coverage by dust. Submonolayer coatings of dust were found to not significantly change the steady state temperature at which a shadowed thermal control surface will radiate.

A frequency quantum interpretation of the surface renewal model of mass transfer

PubMed Central

Mondal, Chanchal

2017-01-01

The surface of a turbulent liquid is visualized as consisting of a large number of chaotic eddies or liquid elements. Assuming that surface elements of a particular age have renewal frequencies that are integral multiples of a fundamental frequency quantum, and further assuming that the renewal frequency distribution is of the Boltzmann type, performing a population balance for these elements leads to the Danckwerts surface age distribution. The basic quantum is what has been traditionally called the rate of surface renewal. The Higbie surface age distribution follows if the renewal frequency distribution of such elements is assumed to be continuous. Four age distributions, which reflect different start-up conditions of the absorption process, are then used to analyse transient physical gas absorption into a large volume of liquid, assuming negligible gas-side mass-transfer resistance. The first two are different versions of the Danckwerts model, the third one is based on the uniform and Higbie distributions, while the fourth one is a mixed distribution. For the four cases, theoretical expressions are derived for the rates of gas absorption and dissolved-gas transfer to the bulk liquid. Under transient conditions, these two rates are not equal and have an inverse relationship. However, with the progress of absorption towards steady state, they approach one another. Assuming steady-state conditions, the conventional one-parameter Danckwerts age distribution is generalized to a two-parameter age distribution. Like the two-parameter logarithmic normal distribution, this distribution can also capture the bell-shaped nature of the distribution of the ages of surface elements observed experimentally in air–sea gas and heat exchange. Estimates of the liquid-side mass-transfer coefficient made using these two distributions for the absorption of hydrogen and oxygen in water are very close to one another and are comparable to experimental values reported in the literature. PMID:28791137

Paracetamol absorption from different sites in the human small intestine.

PubMed Central

Gramatté, T; Richter, K

1994-01-01

Site-specificity in the small intestinal absorption of paracetamol was investigated using a segmental intestinal steady state perfusion technique (triple-lumen tubing system) combined with simultaneous measurements of serum drug concentrations. Dissolved paracetamol was perfused over 160 min into different parts of the small intestine (65-210 cm beyond the teeth). Each of the four healthy subjects was studied twice with a proximal and a more distal site of perfusion. Serum drug concentrations were similar after proximal and distal perfusions. Mean drug absorption rates calculated from intestinal aspirate concentrations were similar in both parts of the intestine--proximal: 869 micrograms 30 cm-1 min-1 (95% CI: 659-1079) vs distal: 941 micrograms 30 cm-1 min-1 (794-1088). The absorption rate was related directly to the amount of paracetamol perfused per unit time as well as to the rate of transmucosal water fluxes. PMID:7917782

Moisture absorption of starch based biocomposites reinforced with water hyacinth fibers

NASA Astrophysics Data System (ADS)

Abral, H.; Hartono, J.

2017-06-01

Bioplastic based on tapioca starch (TSB) is very sensitive on moisture; meanwhile this substance may be used to replace synthetic plastic. This paper reports effect of Water Hyacinth Fibers (WHF) content on performance moisture absorption of starch based biocomposites. WHF content in the TSB matrix was varied in 1, 3, 5, and 10% respectively. The samples were placed in closed room with high relative humidity (RH) of 99% at 250C with different duration for 30 and 960 min respectively. The result showed that moisture absorption in the beginning was increased rapidly, and then achieved a level steady state. After that, significant swelling of the sample occurred for further duration in 960 min. Gradient of the swelling was decreased as increasing the fibers content in the TSB matrix.

Disposal of Energy by UV-B Sunscreens

NASA Astrophysics Data System (ADS)

Nordlund, Thomas; Krishnan, Rajagopal

2008-03-01

Ideal sunscreens absorb dangerous UV light and dispose of the energy safely. ``Safe disposal'' usually means conversion to heat. However, efficient absorption entails a high radiative rate, which implies high energy-transfer and other rates, unless some process intervenes to ``defuse'' the excited state. We studied the excited-state kinetics of three UV-B (290-320 nm) sunscreens by absorption, steady-state and time-resolved fluorescence. Excited-state rate analysis suggests that some sunscreens have low radiative-rate ``dark'' states, in addition to normal excited states.* We deduce dark states when sunscreens of high extinction coefficient do not show lifetimes and total emission consistent with such high radiative rates. A high radiative rate, accompanied by efficient fluorescence emission and/or transfer, may be unfavorable for a sunscreen. In spite of its dark excited state, padimate O shows significant re-emission of light in the UV-A (320-400 nm) and energy transfer to a natural component of excised skin, probably collagen. * Krishnan, R. and T.M. Nordlund (2007) J. Fluoresc. DOI 10.1007/s10895-007-0264-3.

Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory.

PubMed

De Giovannini, Umberto; Brunetto, Gustavo; Castro, Alberto; Walkenhorst, Jessica; Rubio, Angel

2013-05-10

Molecular absorption and photoelectron spectra can be efficiently predicted with real-time time-dependent density functional theory. We show herein how these techniques can be easily extended to study time-resolved pump-probe experiments, in which a system response (absorption or electron emission) to a probe pulse is measured in an excited state. This simulation tool helps with the interpretation of fast-evolving attosecond time-resolved spectroscopic experiments, in which electronic motion must be followed at its natural timescale. We show how the extra degrees of freedom (pump-pulse duration, intensity, frequency, and time delay), which are absent in a conventional steady-state experiment, provide additional information about electronic structure and dynamics that improve characterization of a system. As an extension of this approach, time-dependent 2D spectroscopy can also be simulated, in principle, for large-scale structures and extended systems. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of all-optical light modulation in proteorhodopsin protein molecules

NASA Astrophysics Data System (ADS)

Roy, Sukhdev; Sharma, Parag

2008-03-01

We present a detailed steady-state and time-dependent theoretical analysis of all-optical light modulation in the recently discovered, wild-type proteorhodopsin (WTpR) protein molecules based on excited-state absorption. Amplitude modulation of cw probe laser beam transmissions at 520, 405, 555 and 560 nm, corresponding to the peak absorption of pR, pRM, pRK and pRN intermediate states of pR photocycle, respectively, by cw and pulsed modulating pump laser beam at 520 nm have been analyzed. The effect of various spectral and kinetic parameters on modulation characteristics has been studied. There is an optimum value of concentration for a given pump intensity value for which maximum modulation of the probe beam can be achieved. The switching characteristics of probe beam at 405 and 520 nm exhibit dip and peak, respectively, which can be removed by decreasing the absorption of pRM state at 520 nm. The modulation in WTpR is at lower pump powers with smaller contrast in comparison to WT bacteriorhodopsin (bR) and WT pharaonis phoborhodopsin (ppR). The modulation characteristics exhibit unique features compared to bR and ppR.

Bright Two-Photon Emission and Ultra-Fast Relaxation Dynamics in a DNA-Templated Nanocluster Investigated by Ultra-Fast Spectroscopy

DTIC Science & Technology

2012-01-01

Michigan 3003 S. State St Ann Arbor, MI 48109 -1274 REPORT DOCUMENTATION PAGE b . ABSTRACT UU c. THIS PAGE UU 2. REPORT TYPE New Reprint 17. LIMITATION OF...Figure 1: Steady state absorption for Au25 Au55, Au140, Au2406 and Mie theory calculation using parameter similar to Au25.7 B . Emission Mechanism of...short-lived (hundreds of fs), and it is most likely to be associated with the metal core (State B ).7,17 The near-infrared emission is related to the

Application of spectroscopy and super-resolution microscopy: Excited state

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

Bhattacharjee, Ujjal

Photophysics of inorganic materials and organic molecules in complex systems have been extensively studied with absorption and emission spectroscopy.1-4 Steady-state and time-resolved fluorescence studies are commonly carried out to characterize excited-state properties of fluorophores. Although steady-state fluorescence measurements are widely used for analytical applications, time-resolved fluorescence measurements provide more detailed information about excited-state properties and the environment in the vicinity of the fluorophore. Many photophysical processes, such as photoinduced electron transfer (PET), rotational reorientation, solvent relaxation, and energy transfer, occur on a nanosecond (10 -9 s) timescale, thus affecting the lifetime of the fluorophores. Moreover, time-resolved microscopy methods, such asmore » lifetimeimaging, combine the benefits of the microscopic measurement and information-rich, timeresolved data. Thus, time-resolved fluorescence spectroscopy combined with microscopy can be used to quantify these processes and to obtain a deeper understanding of the chemical surroundings of the fluorophore in a small area under investigation. This thesis discusses various photophysical and super-resolution microscopic studies of organic and inorganic materials, which have been outlined below.« less

Copper(II) Thiosemicarbazone Complexes and Their Proligands upon UVA Irradiation: An EPR and Spectrophotometric Steady-State Study.

PubMed

Hricovíni, Michal; Mazúr, Milan; Sîrbu, Angela; Palamarciuc, Oleg; Arion, Vladimir B; Brezová, Vlasta

2018-03-21

X- and Q-band electron paramagnetic resonance (EPR) spectroscopy was used to characterize polycrystalline Cu(II) complexes that contained sodium 5-sulfonate salicylaldehyde thiosemicarbazones possessing a hydrogen, methyl, ethyl, or phenyl substituent at the terminal nitrogen. The ability of thiosemicarbazone proligands to generate superoxide radical anions and hydroxyl radicals upon their exposure to UVA irradiation in aerated aqueous solutions was evidenced by the EPR spin trapping technique. The UVA irradiation of proligands in neutral or alkaline solutions and dimethylsulfoxide (DMSO) caused a significant decrease in the absorption bands of aldimine and phenolic chromophores. Mixing of proligand solutions with the equimolar amount of copper(II) ions resulted in the formation of 1:1 Cu(II)-to-ligand complex, with the EPR and UV-Vis spectra fully compatible with those obtained for the dissolved Cu(II) thiosemicarbazone complexes. The formation of the complexes fully inhibited the photoinduced generation of reactive oxygen species, and only subtle changes were found in the electronic absorption spectra of the complexes in aqueous and DMSO solutions upon UVA steady-state irradiation. The dark redox activity of copper(II) complexes and proligand/Cu(II) aqueous solutions towards hydrogen peroxide which resulted in the generation of hydroxyl radicals, was confirmed by spin trapping experiments.

Pharmacokinetics and pharmacodynamics of safinamide, a neuroprotectant with antiparkinsonian and anticonvulsant activity.

PubMed

Marzo, Antonio; Dal Bo, Lorenzo; Monti, Nunzia Ceppi; Crivelli, Fabrizio; Ismaili, Shevqet; Caccia, Carla; Cattaneo, Carlo; Fariello, Ruggero G

2004-07-01

This paper describes the pharmacokinetics and the pharmacodynamics, in terms of monoamino oxidase type B (MAO-B) inhibition, in male healthy volunteers of orally administered safinamide, a new neuroprotectant that in experimental models has demonstrated strong anticonvulsant and antiparkinson activities. Four clinical trials covering the dose range of 25-10,000 microg/kg were carried out to describe pharmacokinetics, pharmacodynamics and tolerability of safinamide, administered in single or repeated dose regimen to steady state, including a food interaction trial. All the above trials were carried out after the Ethics Committee's approval and signature of the consent form by the volunteers. In single dose trials blood sampling covered a 24 h-period in pharmacodynamic trials, 48 h-period in pharmacokinetic trials. In the case of repeated dose regimen to steady state a pre-dose sample was drawn on the first six study days, whereas the curve was explored on the 7th study day, prolonging blood sampling over a 48 h-period after the last dosing. Safinamide level was determined in plasma by a very sensitive and specific LC-MS-MS method, with a low limit of quantification of 0.5 ng/ml of plasma. Pharmacokinetic analysis was carried out with non-compartmental method and, in one case, also with the two-compartmental method. Monoamine oxidase activity of both types A and B (MAO-A and MAO-B) was determined in plasma at different times (MAO-B) and correlated to safinamide levels, or in urine (MAO-A). Pharmacokinetics of safinamide proved to be linearly and proportionally related to the administered doses. The absorption of safinamide was rapid with peak plasma concentrations ranging from 2 to 4 h. Food prolonged the rate and did not affect the extent of absorption of safinamide. In repeat dose regimen once daily, the steady state was reached on the 5th study day with a marginal accumulation factor of 1.5-1.7. The drug was cleared with a t(1/2) of about 22 h. Safinamide reversibly inhibited MAO-B enzyme. Full inhibition was observed with single doses >/= 600 microg/kg, and a relevant, dose dependent, progressive inhibition was encountered with doses starting from 25 microg/kg. Even at the highest single dose of 10 mg/kg no evidence of MAO-A inhibition was observed. Enteral absorption of the drug is linear and proportional to the doses administered. The drug is cleared from the body with a t(1/2) of approximately equal to 22 h, without producing any clinically relevant accumulation at steady state. The MAO-B inhibitory activity, without affecting MAO-A, is useful to prevent a dopamine bioinactivation in patients suffering from Parkinson's disease. Safinamide tolerability in the four clinical trials proved to be good.

Can quantum coherent solar cells break detailed balance?

NASA Astrophysics Data System (ADS)

Kirk, Alexander P.

2015-07-01

Carefully engineered coherent quantum states have been proposed as a design attribute that is hypothesized to enable solar photovoltaic cells to break the detailed balance (or radiative) limit of power conversion efficiency by possibly causing radiative recombination to be suppressed. However, in full compliance with the principles of statistical mechanics and the laws of thermodynamics, specially prepared coherent quantum states do not allow a solar photovoltaic cell—a quantum threshold energy conversion device—to exceed the detailed balance limit of power conversion efficiency. At the condition given by steady-state open circuit operation with zero nonradiative recombination, the photon absorption rate (or carrier photogeneration rate) must balance the photon emission rate (or carrier radiative recombination rate) thus ensuring that detailed balance prevails. Quantum state transitions, entropy-generating hot carrier relaxation, and photon absorption and emission rate balancing are employed holistically and self-consistently along with calculations of current density, voltage, and power conversion efficiency to explain why detailed balance may not be violated in solar photovoltaic cells.

The galactic luminous supersoft X-ray source RXJ0925.7-4758 / MR Vel

NASA Astrophysics Data System (ADS)

Prodhani, Nandita; Baruah, Monmoyuri

2018-02-01

A steady-state model has been considered to explain the observed properties of the LSSS RXJ0925.7-4748 / MR Vel. The steady-state models consist of a C-O core surrounded by a hydrogen-rich envelope of the solar abundances. At the bottom of the envelope, hydrogen is burned at the same rate as the star accreted it. Using the most recent proton capturing reaction rates and β -decay rates, the cyclic reactions have been studied. In the present work, effort has been made to explain the observed characteristics of the source RXJ0925.7-4758 / MR Vel considering the above mentioned model. The calculated values of luminosity (8.56 × 10^{37} erg s^{-1}) and effective temperature (94.19 eV) tally well with the observed one. Photoionisation code CLOUDY has been used to explain the observed absorption edges in the spectrum of RXJ0925.7-4758 / MR Vel.

Absorption and emission spectroscopic characterization of blue-light receptor Slr1694 from Synechocystis sp. PCC6803.

PubMed

Zirak, P; Penzkofer, A; Lehmpfuhl, C; Mathes, T; Hegemann, P

2007-01-03

The BLUF protein Slr1694 from the cyanobacterium Synechocystis sp. PCC6803 is characterized by absorption and emission spectroscopy. Slr1694 expressed from E. coli which non-covalently binds FAD, FMN, and riboflavin (called Slr1694(I)), and reconstituted Slr1694 which dominantly contains FAD (called Slr1694(II)) are investigated. The receptor conformation of Slr1694 (dark adapted form Slr1694(r)) is transformed to the putative signalling state (light adapted form Slr1694(s)) with red-shifted absorption and decreased fluorescence efficiency by blue-light excitation. In the dark at 22 degrees C, the signalling state recovers back to the initial receptor state with a time constants of about 14.2s for Slr1694(I) and 17s for Slr1694(II). Quantum yields of signalling state formation of approximately 0.63+/-0.07 for both Slr1694(I) and Slr1694(II) were determined by transient transmission measurements and intensity dependent steady-state transmission measurements. Extended blue-light excitation causes some bound flavin conversion to the hydroquinone form and some photo-degradation, both with low quantum efficiency. The flavin-hydroquinone re-oxidizes slowly back (time constant 5-9 min) to the initial flavoquinone form in the dark. A photo-cycle dynamics scheme is presented.

Commercial absorption chiller models for evaluation of control strategies

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

Koeppel, E.A.; Klein, S.A.; Mitchell, J.W.

1995-08-01

A steady-state computer simulation model of a direct fired double-effect water-lithium bromide absorption chiller in the parallel-flow configuration was developed from first principles. Unknown model parameters such as heat transfer coefficients were determined by matching the model`s calculated state points and coefficient of performance (COP) against nominal full-load operating data and COPs obtained from a manufacturer`s catalog. The model compares favorably with the manufacturer`s performance ratings for varying water circuit (chilled and cooling) temperatures at full load conditions and for chiller part-load performance. The model was used (1) to investigate the effect of varying the water circuit flow rates withmore » the chiller load and (2) to optimize chiller part-load performance with respect to the distribution and flow of the weak solution.« less

Cold Atomic Hydrogen, Narrow Self-Absorption, and the Age of Molecular Clouds

NASA Technical Reports Server (NTRS)

Goldsmith, Paul F.

2006-01-01

This viewgraph presentation reviews the history, and current work on HI and its importance in star formation. Through many observations of HI Narrow Self Absorption (HINSA) the conclusions are drawn and presented. Local molecular clouds have HI well-mixed with molecular constituents This HI is cold, quiescent, and must be well-shielded from the UV radiation field The density and fractional abundance (wrt H2) of the cold HI are close to steady state values The time required to convert these starless clouds from purely HI initial state to observed present composition is a few to ten million years This timescale is a lower limit - if dense clouds being swept up from lower density regions by shocks, the time to accumulate material to get A(sub v) is approximately 1 and provide required shielding may be comparable or longer

Nonequilibrium quantum absorption refrigerator

NASA Astrophysics Data System (ADS)

Du, Jian-Ying; Zhang, Fu-Lin

2018-06-01

We study a quantum absorption refrigerator, in which a target qubit is cooled by two machine qubits in a nonequilibrium steady-state. It is realized by a strong internal coupling in the two-qubit fridge and a vanishing tripartite interaction among the whole system. The coherence of a machine virtual qubit is investigated as quantumness of the fridge. A necessary condition for cooling shows that the quantum coherence is beneficial to the nonequilibrium fridge, while it is detrimental as far as the maximum coefficient of performance (COP) and the COP at maximum power are concerned. Here, the COP is defined only in terms of heat currents caused by the tripartite interaction, with the one maintaining the two-qubit nonequilibrium state being excluded. The later can be considered to have no direct involvement in extracting heat from the target, as it is not affected by the tripartite interaction.

Abnormal passive chloride absorption in cystic fibrosis jejunum functionally opposes the classic chloride secretory defect

PubMed Central

Russo, Michael A.; Högenauer, Christoph; Coates, Stephen W.; Santa Ana, Carol A.; Porter, Jack L.; Rosenblatt, Randall L.; Emmett, Michael; Fordtran, John S.

2003-01-01

Due to genetic defects in apical membrane chloride channels, the cystic fibrosis (CF) intestine does not secrete chloride normally. Depressed chloride secretion leaves CF intestinal absorptive processes unopposed, which results in net fluid hyperabsorption, dehydration of intestinal contents, and a propensity to inspissated intestinal obstruction. This theory is based primarily on in vitro studies of jejunal mucosa. To determine if CF patients actually hyperabsorb fluid in vivo, we measured electrolyte and water absorption during steady-state perfusion of the jejunum. As expected, chloride secretion was abnormally low in CF, but surprisingly, there was no net hyperabsorption of sodium or water during perfusion of a balanced electrolyte solution. This suggested that fluid absorption processes are reduced in CF jejunum, and further studies revealed that this was due to a marked depression of passive chloride absorption. Although Na+-glucose cotransport was normal in the CF jejunum, absence of passive chloride absorption completely blocked glucose-stimulated net sodium absorption and reduced glucose-stimulated water absorption 66%. This chloride absorptive abnormality acts in physiological opposition to the classic chloride secretory defect in the CF intestine. By increasing the fluidity of intraluminal contents, absence of passive chloride absorption may reduce the incidence and severity of intestinal disease in patients with CF. PMID:12840066

Energy absorption in cold inhomogeneous plasmas - The Herlofson paradox.

NASA Technical Reports Server (NTRS)

Crawford, F. W.; Harker, K. J.

1972-01-01

Confirmation of Barston's (1964) conclusions regarding the underlying mechanism of the Herlofson paradox by examining in detail several analytically tractable cases of delta-function and sinusoidal excitation. The effects of collisions and nonzero electron temperature in determining the steady state fields and dissipation are considered. Energy absorption without dissipation in plasmas is shown to be analogous to that occurring after application of a signal to a network of lossless resonant circuits. This analogy is pursued and is extended to cover Landau damping in a warm homogeneous plasma in which the resonating elements are the electron streams making up the velocity distribution. Some of the practical consequences of resonant absorption are discussed, together with a number of paradoxical plasma phenomena which can also be elucidated by considering a superposition of normal modes rather than a single Fourier component.

Lecithin inhibits fatty acid and bile salt absorption from rat small intestine in vivo.

PubMed

Saunders, D R; Sillery, J

1976-12-01

During digestion of a fatty meal, long chain free fatty acids (FFA) and lecithin are among the lipids solubilized in intestinal contents as mixed micelles with bile salts. We hypothesized that if lecithin were not hydrolyzed, the mixed micelles would be abnormal, and absorption of FFA and bile salts would be depressed. To test this hypothesis, isolated segments of rat small intestine were infused in vivo with micellar solutions of 2 mMolar linoleic acid and 10 mMolar taurocholate to which was added 3 mMolar 1-palmitoyl, 2-oleoyl lecithin (a common lecithin in bile and food), or 1-palmitoyl lysolecithin (the hydrolytic product of lecithin). Absorption of FFA and bile salt was measured under steady state conditions using a single-pass technique. Lecithin depressed the rate of FFA absorption by 40% (p less than 0.025) in jejunal and ileal segments whereas lysolecithin was associated with normal rates of FFA absorption. Lecithin also reduced taurocholate absorption from the ileum by 30% (p less than 0.05). These data support the idea that lecithin may depress FFA and bile salt absorption from the small intestine in pancreatic insufficiency.

New Ligand Design Provides Delocalization and Promotes Strong Absorption throughout the Visible Region in a Ru(II) Complex

DOE PAGES

Whittemore, Tyler J.; White, Travis A.; Turro, Claudia

2017-12-20

The new Ru(II)–anthraquinone complex [Ru(bpy) 2(qdpq)](PF 6) 2 (Ru-qdpq; bpy = 2,2'-bipyridine; qdpq = 2,3-di(2-pyridyl)naphtho[2,3-f]quinoxaline-7,12-quinone) possesses a strong 1MLCT Ru → qdpq absorption with a maximum at 546 nm that tails into the near-IR and is significantly red-shifted relative to that of the related complex [Ru(bpy) 2(qdppz)](PF 6) 2 (Ru-qdppz; qdppz = naphtho[2,3-a]dipyrido[3,2-h:2',3'-f]phenazine-5,18-dione), with λ max = 450 nm. Ru-qdppz possesses electronically isolated proximal and distal qdppz-based excited states; the former is initially generated and decays to the latter, which repopulates the ground state with τ = 362 ps. In contrast, excitation of Ru-qdpq results in the population of amore » relatively long-lived (τ = 19 ns) Ru(dπ) → qdpq(π*) 3MLCT excited state where the promoted electron is delocalized throughout the qdpq ligand. Ultrafast spectroscopy, used together with steady-state absorption, electrochemistry, and DFT calculations, indicates that the unique coordination modes of the qdpq and qdppz ligands impart substantially different electronic communication throughout the quinone-containing ligand, affecting the excited state and electron transfer properties of these molecules. As a result, these observations create a pathway to synthesize complexes with red-shifted absorptions that possess long-lived, redox-active excited states that are useful for various applications, including solar energy conversion and photochemotherapy.« less

New Ligand Design Provides Delocalization and Promotes Strong Absorption throughout the Visible Region in a Ru(II) Complex

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

Whittemore, Tyler J.; White, Travis A.; Turro, Claudia

The new Ru(II)–anthraquinone complex [Ru(bpy) 2(qdpq)](PF 6) 2 (Ru-qdpq; bpy = 2,2'-bipyridine; qdpq = 2,3-di(2-pyridyl)naphtho[2,3-f]quinoxaline-7,12-quinone) possesses a strong 1MLCT Ru → qdpq absorption with a maximum at 546 nm that tails into the near-IR and is significantly red-shifted relative to that of the related complex [Ru(bpy) 2(qdppz)](PF 6) 2 (Ru-qdppz; qdppz = naphtho[2,3-a]dipyrido[3,2-h:2',3'-f]phenazine-5,18-dione), with λ max = 450 nm. Ru-qdppz possesses electronically isolated proximal and distal qdppz-based excited states; the former is initially generated and decays to the latter, which repopulates the ground state with τ = 362 ps. In contrast, excitation of Ru-qdpq results in the population of amore » relatively long-lived (τ = 19 ns) Ru(dπ) → qdpq(π*) 3MLCT excited state where the promoted electron is delocalized throughout the qdpq ligand. Ultrafast spectroscopy, used together with steady-state absorption, electrochemistry, and DFT calculations, indicates that the unique coordination modes of the qdpq and qdppz ligands impart substantially different electronic communication throughout the quinone-containing ligand, affecting the excited state and electron transfer properties of these molecules. As a result, these observations create a pathway to synthesize complexes with red-shifted absorptions that possess long-lived, redox-active excited states that are useful for various applications, including solar energy conversion and photochemotherapy.« less

Topical methotrexate alters solute and water transport in the rat jejunum in vivo and rabbit ileum in vitro.

PubMed Central

Pinkerton, C R; Booth, I W; Milla, P J

1985-01-01

The topical effect of methotrexate (MTX) on small intestinal hexose and ion transport has been studied using an in vivo steady state jejunal perfusion technique in the rat, and short circuited rabbit terminal ileum in Ussing chambers in vitro. In rat jejunum, perfusion with MTX (1 mumol/l) caused significant reductions in water, sodium, and glucose absorption within 110 minutes of exposure. Fructose absorption was, however, unimpaired. The same concentration of MTX, when added to the mucosal side of distal rabbit ileum caused significant increases in transmucosal potential difference, short circuit current and the unidirectional flux of chloride from serosa to mucosa. In the presence of a subphysiological magnesium concentration (0.3 mmol/l), MTX resulted in the abolition of net sodium absorption and the conversion of net chloride absorption to secretion. We conclude that MTX has a topical effect on small intestinal transport which is independent of its effect on crypt cell kinetics. PMID:4018634

Solvent dependent photophysical properties of dimethoxy curcumin

NASA Astrophysics Data System (ADS)

Barik, Atanu; Indira Priyadarsini, K.

2013-03-01

Dimethoxy curcumin (DMC) is a methylated derivative of curcumin. In order to know the effect of ring substitution on photophysical properties of curcumin, steady state absorption and fluorescence spectra of DMC were recorded in organic solvents with different polarity and compared with those of curcumin. The absorption and fluorescence spectra of DMC, like curcumin, are strongly dependent on solvent polarity and the maxima of DMC showed red shift with increase in solvent polarity function (Δf), but the above effect is prominently observed in case of fluorescence maxima. From the dependence of Stokes' shift on solvent polarity function the difference between the excited state and ground state dipole moment was estimated as 4.9 D. Fluorescence quantum yield (ϕf) and fluorescence lifetime (τf) of DMC were also measured in different solvents at room temperature. The results indicated that with increasing solvent polarity, ϕf increased linearly, which has been accounted for the decrease in non-radiative rate by intersystem crossing (ISC) processes.

Proton Induced Modulation of ICT and PET Processes in an Imidazo-phenanthroline Based BODIPY Fluorophores.

PubMed

Thakare, Shrikant S; Chakraborty, Goutam; Kothavale, Shantaram; Mula, Soumyaditya; Ray, Alok K; Sekar, Nagaiyan

2017-11-01

BODIPY fluorophores linked with an imidazo-phenanthroline donor at α and β positions have been synthesized. Intriguing intramolecular charge transfer phenomenon is observed in both the dyes which has been extensively investigated using UV-vis absorption, steady-state and time-resolved fluorescence measurements. H-bonding and intrinsic polarity of the solvents has modulated the absorption and emission bands of these fluorophores strongly causing significant increase in the Stokes shifts. In spite of having difference only in terms of the position of donor subunit, the photophysics of these dyes are not only significantly different from each other, but contradictory too. Interestingly, acidochromic studies revealed the shuttling mechanism between ICT and PET processes for BDP 2. Quantum chemical calculations have been employed further to support experimental findings. DFT and TD-DFT method of analysis have been used to optimize ground and excited state geometries of the synthesized dyes.

Optical discharge with absorption of repetitive CO{sub 2} laser pulses in supersonic air flow: wave structure and condition of a quasi-steady state

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

Bobarykina, T A; Malov, A N; Orishich, A M

We report a study of the wave structure formed by an optical discharge plasma upon the absorption of repetitively pulsed CO{sub 2} laser radiation in a supersonic (M = 1.36) air flow. Experimental data are presented on the configuration of the head shock wave and the geometry and characteristic dimensions of breakdown regions behind a laser plasma pulsating in the flow at a frequency of up to 150 kHz. The data are compared to calculation in a point explosion model with allowance for counterpressure, which makes it possible to identify the relationship between laser radiation and supersonic flow parameters thatmore » ensures quasisteady- state energy delivery and is necessary for extending the possibilities of controlling the structure of supersonic flows. (interaction of laser radiation with matter)« less

Computational Studies of Drug Release, Transport and Absorption in the Human Intestines

NASA Astrophysics Data System (ADS)

Behafarid, Farhad; Brasseur, J. G.; Vijayakumar, G.; Jayaraman, B.; Wang, Y.

2016-11-01

Following disintegration of a drug tablet, a cloud of particles 10-200 μm in diameter enters the small intestine where drug molecules are absorbed into the blood. Drug release rate depends on particle size, solubility and hydrodynamic enhancements driven by gut motility. To quantify the interrelationships among dissolution, transport and wall permeability, we apply lattice Boltzmann method to simulate the drug concentration field in the 3D gut released from polydisperse distributions of drug particles in the "fasting" vs. "fed" motility states. Generalized boundary conditions allow for both solubility and gut wall permeability to be systematically varied. We apply a local 'quasi-steady state' approximation for drug dissolution using a mathematical model generalized for hydrodynamic enhancements and heterogeneity in drug release rate. We observe fundamental differences resulting from the interplay among release, transport and absorption in relationship to particle size distribution, luminal volume, motility, solubility and permeability. For example, whereas smaller volume encourages higher bulk concentrations and reduced release rate, it also encourages higher absorption rate, making it difficult to generalize predictions. Supported by FDA.

Light-induced absorption and its relaxation under illumination of continuous wave ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3}

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

Liu Youwen; Kitamura, Kenji; Takekawa, Shunji

2005-04-01

The steady-state light-induced absorption and the temporal relaxation behavior under illumination of cw ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3} with different crystal compositions are investigated. The ultraviolet-light-induced absorption has been assigned to small polarons Nb{sub Li}{sup 4+} by measuring the absorption spectra at room temperature. The dependences of relaxation behaviors (time constant and stretching factor) of light-induced absorption on various illumination conditions (intensity, polarization) and temperature are presented, which are very different from those observed in Fe-doped LiNbO{sub 3} illuminated with highly intense light pulse, though the temporal relaxation follows the same stretched-exponential decay behavior in both cases. Themore » results are explained reasonably by using the model of distance-dependent electron transition probabilities between localized deep traps and small polarons without any additional assumptions, and discussed to tailor doped near-stoichiometric LiNbO{sub 3} crystals for two-color holographic recording with cw laser light.« less

On the temperature and the interstellar nature of coronal gas observed by Copernicus

NASA Technical Reports Server (NTRS)

York, D. G.

1977-01-01

More detailed scans of ions expected in interstellar absorption at temperatures of 100,000 to 1 million K have been made with Copernicus in five stars: Alpha Vir, Beta Cen, Lambda Sco, Mu Col, and HD 28497. Preliminary data show that the absorption due to O VI is stationary compared with the velocities of stellar absorption in the spectrum of the spectroscopic binary Lambda Sco, thus demonstrating its nonstellar nature. Ionization temperatures interpreted using steady-state or time-dependent assumptions yield values of 280,000 to 700,000 K. There is some evidence that a range of temperatures consistent with this spread may in fact exist in Alpha Vir. For this limited sample of data, there is no clear evidence for a generic association of low-column-density H2 and the O VI absorption. It is concluded that the O VI absorption refers to regions with temperatures exceeding 250,000 K. The only UV diagnostic for the gas appears to be the O VI features, though C IV may be useful in some cases.

Validation of polyethylene glycol 3350 as a poorly absorbable marker for intestinal perfusion studies.

PubMed

Schiller, L R; Santa Ana, C A; Porter, J; Fordtran, J S

1997-01-01

Polyethylene glycol (PEG) has been used as a poorly absorbable marker in intestinal perfusion studies, but there is controversy about the absorbability of PEG, particularly when glucose-sodium cotransport is occurring. Total intestinal perfusion studies were done in five normal humans using three solutions containing 1 g/liter PEG 3350 and designed to produce low rates of water absorption, high rates of water absorption, or high rates of glucose-sodium cotransport. Water absorption rates were calculated by traditional nonabsorbable marker equations and by a novel balance technique in which absorption was taken as the difference between the volumes of solution infused and recovered during steady-state conditions. Effluent PEG recovery was 99 +/- 4%, 109 +/- 2%, and 104 +/- 6% of the amount infused with each solution. Water absorption rates measured by use of PEG concentrations were similar to those calculated by the balance technique (r = 0.99). The complete recovery of PEG confirms the poor absorbability of PEG 3350, and the excellent agreement between techniques validates PEG as a poorly absorbed marker, even when glucose-sodium cotransport is occurring.

Radiative thermal conduction fronts

NASA Technical Reports Server (NTRS)

Borkowski, Kazimierz J.; Balbus, Steven A.; Fristrom, Carl C.

1990-01-01

The discovery of the O VI interstellar absorption lines in our Galaxy by the Copernicus observatory was a turning point in our understanding of the Interstellar Medium (ISM). It implied the presence of widespread hot (approx. 10 to the 6th power K) gas in disk galaxies. The detection of highly ionized species in quasi-stellar objects' absorption spectra may be the first indirect observation of this hot phase in external disk galaxies. Previous efforts to understand extensive O VI absorption line data from our Galaxy were not very successful in locating the regions where this absorption originates. The location at interfaces between evaporating ISM clouds and hot gas was favored, but recent studies of steady-state conduction fronts in spherical clouds by Ballet, Arnaud, and Rothenflug (1986) and Bohringer and Hartquist (1987) rejected evaporative fronts as the absorption sites. Researchers report here on time-dependent nonequilibrium calculations of planar conductive fronts whose properties match well with observations, and suggest reasons for the difference between the researchers' results and the above. They included magnetic fields in additional models, not reported here, and the conclusions are not affected by their presence.

Radiative thermal conduction fronts

NASA Astrophysics Data System (ADS)

Borkowski, Kazimierz J.; Balbus, Steven A.; Fristrom, Carl C.

1990-07-01

The discovery of the O VI interstellar absorption lines in our Galaxy by the Copernicus observatory was a turning point in our understanding of the Interstellar Medium (ISM). It implied the presence of widespread hot (approx. 10 to the 6th power K) gas in disk galaxies. The detection of highly ionized species in quasi-stellar objects' absorption spectra may be the first indirect observation of this hot phase in external disk galaxies. Previous efforts to understand extensive O VI absorption line data from our Galaxy were not very successful in locating the regions where this absorption originates. The location at interfaces between evaporating ISM clouds and hot gas was favored, but recent studies of steady-state conduction fronts in spherical clouds by Ballet, Arnaud, and Rothenflug (1986) and Bohringer and Hartquist (1987) rejected evaporative fronts as the absorption sites. Researchers report here on time-dependent nonequilibrium calculations of planar conductive fronts whose properties match well with observations, and suggest reasons for the difference between the researchers' results and the above. They included magnetic fields in additional models, not reported here, and the conclusions are not affected by their presence.

Self-Organized Criticality in an Asexual Model?

NASA Astrophysics Data System (ADS)

Chisholm, Colin; Jan, Naeem; Gibbs, Peter; Erzan, Ayşe.

Recent work has shown that the distribution of steady state mutations for an asexual ``bacteria'' model has features similar to that seen in Self-Organized Critical (SOC) sandpile model of Bak et al. We investigate this coincidence further and search for ``self-organized critical'' state for bacteria but instead find that the SOC sandpile critical behavior is very sensitive; critical behavior is destroyed with small perturbations effectively when the absorption of sand is introduced. It is only in the limit when the length of the genome of the bacteria tends to infinity that SOC properties are recovered for the asexual model.

Photochemical Production of Singlet Oxygen from Dissolved Organic Matter in Ice.

PubMed

Fede, Alexis; Grannas, Amanda M

2015-11-03

Dissolved natural organic matter (DOM) is a ubiquitous component of natural waters and an important photosensitizer. A variety of reactive oxygen species (ROS) are known to be produced from DOM photochemistry, including singlet oxygen, 1O2. Recently, it has been determined that humic-like substances and unknown organic chromophores are significant contributors to sunlight absorption in snowpack; however, DOM photochemistry in snow/ice has received little attention in the literature. We recently showed that DOM plays an important role in indirect photolysis processes in ice, producing ROS and leading to the efficient photodegradation of a probe hydrophobic organic pollutant, aldrin.1 ROS scavenger experiments indicated that 1O2 played a significant role in the indirect photodegradation of aldrin. Here we quantitatively examine 1O2 photochemically produced from DOM in frozen and liquid aqueous solutions. Steady-state 1O2 production is enhanced up to nearly 1000 times in frozen DOM samples compared to liquid samples. 1O2 production is dependent on the concentration of DOM, but the nature of the DOM source (terrestrial vs microbial) does not have a significant effect on 1O2 production in liquid or frozen samples, with different source types producing similar steady-state concentrations of 1O2. The temperature of frozen samples also has a significant effect on steady-state 1O2 production in the range of 228-262 K, with colder samples producing more steady-state 1O2. The large enhancement in 1O2 in frozen samples suggests that it may play a significant role in the photochemical processes that occur in snow and ice, and DOM could be a significant, but to date poorly understood, oxidant source in snow and ice.

Influences of brain tissue poroelastic constants on intracranial pressure (ICP) during constant-rate infusion.

PubMed

Li, Xiaogai; von Holst, Hans; Kleiven, Svein

2013-01-01

A 3D finite element (FE) model has been developed to study the mean intracranial pressure (ICP) response during constant-rate infusion using linear poroelasticity. Due to the uncertainties in the poroelastic constants for brain tissue, the influence of each of the main parameters on the transient ICP infusion curve was studied. As a prerequisite for transient analysis, steady-state simulations were performed first. The simulated steady-state pressure distribution in the brain tissue for a normal cerebrospinal fluid (CSF) circulation system showed good correlation with experiments from the literature. Furthermore, steady-state ICP closely followed the infusion experiments at different infusion rates. The verified steady-state models then served as a baseline for the subsequent transient models. For transient analysis, the simulated ICP shows a similar tendency to that found in the experiments, however, different values of the poroelastic constants have a significant effect on the infusion curve. The influence of the main poroelastic parameters including the Biot coefficient α, Skempton coefficient B, drained Young's modulus E, Poisson's ratio ν, permeability κ, CSF absorption conductance C(b) and external venous pressure p(b) was studied to investigate the influence on the pressure response. It was found that the value of the specific storage term S(ε) is the dominant factor that influences the infusion curve, and the drained Young's modulus E was identified as the dominant parameter second to S(ε). Based on the simulated infusion curves from the FE model, artificial neural network (ANN) was used to find an optimised parameter set that best fit the experimental curve. The infusion curves from both the FE simulation and using ANN confirmed the limitation of linear poroelasticity in modelling the transient constant-rate infusion.

International Conference on Millimeter Wave and Far-Infrared Technology (1st) Held in Beijing, China, August 17-21, 1992

DTIC Science & Technology

1993-03-01

I1. NON COHERENT-REFLECTOMETRY The design of sources of steady-state intencive noise signals of mm wave band with sufficiently wide and homogenious...structures exhibit non -reciprocity effects, as well as magnetically controlled resonances, which are observable in reflection, absorption, and...performance of the oscillator. Accordingly, we designed a 3mm electronically tuned harmonic -420- oscillator in which it is easy to debug and control

Pharmacokinetics of isotretinoin during repetitive dosing to patients.

PubMed

Brazzell, R K; Vane, F M; Ehmann, C W; Colburn, W A

1983-01-01

The multiple dose pharmacokinetics of isotretinoin and its major blood metabolite, 4-oxo-isotretinoin, were studied in 10 patients with cystic acne and 11 patients with various keratinization disorders. Blood samples were obtained at predetermined times following the first dose, interim doses and the final dose. Blood concentrations of isotretinoin and 4-oxo-isotretinoin were measured by a specific and sensitive HPLC method. A lag time was usually observed prior to the onset of absorption following oral administration of the drug in a soft elastic gelatin capsule. Absorption then proceeded rapidly and maximum blood concentrations usually occurred within 4 h of drug administration. The harmonic mean half-life for the elimination of isotretinoin by the cystic acne patients was approximately 10 h after the initial dose and did not change significantly following 25 days of 40 mg b.i.d. dosing. Steady-state blood concentrations remained relatively constant after the fifth day of dosing. The harmonic mean elimination half-life in the patients with various disorders of keratinization was about 16 h. The results of the 2 studies suggest that no significant changes in the pharmacokinetics of isotretinoin occur during multiple dosing and that the multiple dose pharmacokinetic profile is predictable and can be described using a linear pharmacokinetic model. This suggests that the steady-state concentrations of isotretinoin can be predicted from single dose data.

Direct synthesis of all-inorganic heterostructured CdSe/CdS QDs in aqueous solution for improved photocatalytic hydrogen generation

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

Li, Zhi-Jun; Fan, Xiang-Bing; Li, Xu-Bing

2017-01-01

Here we present a facile aqueous approach to synthesize heterostructured CdSe/CdS QDs with all-inorganic chalcogenide S2- ligands under mild conditions. High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and steady-state emission spectroscopy demonstrate that the heterostructured CdSe/CdS QDs with sulfur-rich surface composition are formed by heterogeneous nucleation of Cd2+ and S2- precursors on the CdSe QDs. After adsorption of small Ni(OH)(2) clusters over the surface in situ, the CdSe/CdS-Ni(OH)(2) photocatalyst enables H-2 production efficiently with an internal quantum yield of 52% under visible light irradiation at 455 nm, up to an 8-fold increase ofmore » activity to that of spherical CdSe QDs-Ni(OH)(2) under the same conditions. Femtosecond transient absorption spectroscopy, X-ray transient absorption (XTA) spectroscopy, steady-state and time-resolved emission spectroscopy show that the quasi-type-II band alignment in the CdSe/CdS heterostructure is responsible for the efficiency enhancement of light harvesting and surface/interfacial charge separation in solar energy conversion. The unprecedented results exemplify an easily accessible pattern of aqueous synthesis of all-inorganic heterostructured QDs for advanced photosynthetic H-2 evolution.« less

Current fluctuations in quantum absorption refrigerators

NASA Astrophysics Data System (ADS)

Segal, Dvira

2018-05-01

Absorption refrigerators transfer thermal energy from a cold bath to a hot bath without input power by utilizing heat from an additional "work" reservoir. Particularly interesting is a three-level design for a quantum absorption refrigerator, which can be optimized to reach the maximal (Carnot) cooling efficiency. Previous studies of three-level chillers focused on the behavior of the averaged cooling current. Here, we go beyond that and study the full counting statistics of heat exchange in a three-level chiller model. We explain how to obtain the complete cumulant generating function of the refrigerator in a steady state, then derive a partial cumulant generating function, which yields closed-form expressions for both the averaged cooling current and its noise. Our analytical results and simulations are beneficial for the design of nanoscale engines and cooling systems far from equilibrium, with their performance optimized according to different criteria, efficiency, power, fluctuations, and dissipation.

Absorption of subcutaneously infused insulin: influence of the basal rate pulse interval.

PubMed

Hildebrandt, P; Birch, K; Jensen, B M; Kühl, C; Brange, J

1985-01-01

Eight insulin-dependent diabetic patients were given two constant infusions (each 1 IU/h) of 125I-labeled insulin into the abdominal subcutaneous tissue for about 12 h. Insulin was infused in pulses into one side of the abdomen in 6-min intervals (by means of an Auto-Syringe pump) and in the other side of the abdomen, insulin was infused in 1-h intervals (by means of a Medix pump). The size of the subcutaneous depots was continuously measured by counting the radioactivity at the infusion sites. After starting the infusions, the two depots were built up to steady-state levels at the same time and of the same size (approximately 3 IU) and with similar absorption rates. Thus, during basal rate insulin infusion, identical insulin absorption kinetics was achieved, irrespective of a 10-fold difference in the pulse rate.

Tin Oxide Nanowires: The Influence of Trap States on Ultrafast Carrier Relaxation

PubMed Central

2009-01-01

We have studied the optical properties and carrier dynamics in SnO2nanowires (NWs) with an average radius of 50 nm that were grown via the vapor–liquid solid method. Transient differential absorption measurements have been employed to investigate the ultrafast relaxation dynamics of photogenerated carriers in the SnO2NWs. Steady state transmission measurements revealed that the band gap of these NWs is 3.77 eV and contains two broad absorption bands. The first is located below the band edge (shallow traps) and the second near the center of the band gap (deep traps). Both of these absorption bands seem to play a crucial role in the relaxation of the photogenerated carriers. Time resolved measurements suggest that the photogenerated carriers take a few picoseconds to move into the shallow trap states whereas they take ~70 ps to move from the shallow to the deep trap states. Furthermore the recombination process of electrons in these trap states with holes in the valence band takes ~2 ns. Auger recombination appears to be important at the highest fluence used in this study (500 μJ/cm2); however, it has negligible effect for fluences below 50 μJ/cm2. The Auger coefficient for the SnO2NWs was estimated to be 7.5 ± 2.5 × 10−31 cm6/s. PMID:20596473

Fluorescence Spectroscopic Properties of Normal and Abnormal Biomedical Materials

NASA Astrophysics Data System (ADS)

Pradhan, Asima

Steady state and time-resolved optical spectroscopy and native fluorescence is used to study the physical and optical properties occurring in diseased and non-diseased biological human tissue, in particular, cancer of the human breast, artery and the dynamics of a photosensitizer useful in photodynamic therapy. The main focus of the research is on the optical properties of cancer and atherosclerotic tissues as compared to their normal counterparts using the different luminescence based spectroscopic techniques such as steady state fluorescence, time-resolved fluorescence, excitation spectroscopy and phosphorescence. The excitation and steady-state spectroscopic fluorescence using visible excitation wavelength displays a difference between normal and malignant tissues. This difference is attributed to absorption of the emission by hemoglobin in normal tissues. This method using 488nm fails to distinguish neoplastic tissue such as benign tissues and tumors from malignant tumors. The time-resolved fluorescence at visible, near -uv and uv excitation wavelengths display non-exponential profiles which are significantly different for malignant tumors as compared to non-malignant tissues only with uv excitation. The differences observed with visible and near-uv excitation wavelengths are not as significant. The non-exponential profiles are interpreted as due to a combination of fluorophores along with the action of non-radiative processes. Low temperature luminescence studies confirm the occurrence of non-radiative decay processes while temporal studies of various relevant biomolecules indicate the probable fluorophores responsible for the observed signal in tissues. Phosphorescence from human tissues have been observed for the first time and lifetimes of a few hundred nanoseconds are measured for malignant and benign tissues. Time-resolved fluorescence studies of normal artery and atherosclerotic plaque have shown that a combination of two excitation wavelengths can distinguish fibrous and calcified atherosclerotic plaque from normal artery. A minor effort of the study involves the high intensity effects on the optical properties of the dye, doxycycline (a particular photosensitizer of the tetracycline group) occurring during relaxation when excited at different laser intensities. This study has been performed by observing the fluorescence lifetimes and quantum yields of DOTC at different excitation intensities. The results obtained support the sequential excited state absorption model.

Time-resolved broadband cavity-enhanced absorption spectroscopy for chemical kinetics.

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

Sheps, Leonid; Chandler, David W.

Experimental measurements of elementary reaction rate coefficients and product branching ratios are essential to our understanding of many fundamentally important processes in Combustion Chemistry. However, such measurements are often impossible because of a lack of adequate detection techniques. Some of the largest gaps in our knowledge concern some of the most important radical species, because their short lifetimes and low steady-state concentrations make them particularly difficult to detect. To address this challenge, we propose a novel general detection method for gas-phase chemical kinetics: time-resolved broadband cavity-enhanced absorption spectroscopy (TR-BB-CEAS). This all-optical, non-intrusive, multiplexed method enables sensitive direct probing of transientmore » reaction intermediates in a simple, inexpensive, and robust experimental package.« less

Efficient ultraviolet photorefraction in LiNbO3

NASA Astrophysics Data System (ADS)

Jungen, R.; Angelow, G.; Laeri, F.; Grabmaier, C.

1992-07-01

A nominally undoped LiNbO3 crystal with a slightly broadened absorption edge is used to study beam coupling effects in the UV at 351 nm. At this wavelength the crystal exhibits a diffusion-dominated charge transport mechanism, which allows steady state beam amplification of up to 700 times, comparable to BaTiO3 in the visible. The used crystal material was characterized by an absorption coefficient α=2.68 cm-1 at 351 nm and a maximal gain coefficient Г=13.94 cm-1. This high gain value in the UV can be attributed to a hole diffusion-dominated charge transport mechanism together with a low bulk photovoltaic effect. We measured photovoltaic fields of the order of 550 V/cm.

Equivalent circuit model of Ge/Si separate absorption charge multiplication avalanche photodiode

NASA Astrophysics Data System (ADS)

Wang, Wei; Chen, Ting; Yan, Linshu; Bao, Xiaoyuan; Xu, Yuanyuan; Wang, Guang; Wang, Guanyu; Yuan, Jun; Li, Junfeng

2018-03-01

The equivalent circuit model of Ge/Si Separate Absorption Charge Multiplication Avalanche Photodiode (SACM-APD) is proposed. Starting from the carrier rate equations in different regions of device and considering the influences of non-uniform electric field, noise, parasitic effect and some other factors, the equivalent circuit model of SACM-APD device is established, in which the steady-state and transient current voltage characteristics can be described exactly. In addition, the proposed Ge/Si SACM APD equivalent circuit model is embedded in PSpice simulator. The important characteristics of Ge/Si SACM APD such as dark current, frequency response, shot noise are simulated, the simulation results show that the simulation with the proposed model are in good agreement with the experimental results.

Ultrafast Excited-State Dynamics of Cytosine Aza-Derivative and Analogues.

PubMed

Zhou, Zhongneng; Zhou, Xueyao; Wang, Xueli; Jiang, Bin; Li, Yongle; Chen, Jinquan; Xu, Jianhua

2017-04-13

Excited state dynamics of 5-azacytosine (5-AC), 2,4-diamino-1,3,5-triazine (2,4-DT), and 2-amino-1,3,5-triazine (2-AT) were comprehensively investigated by steady state absorption, fluorescence, and femtosecond transient absorption measurements. Time-dependent density functional theory (TDDFT) calculations were performed to help assign the absorption bands and understand the excited state decay mechanisms. The experimental results of excited singlet state dynamics for 5-AC, 2,4-DT, and 2-AT with femtosecond time resolution were reported for the first time. Two distinct decay pathways, with ∼1 ps and tens of picosecond lifetimes, were observed in 5-AC. Only one decay pathway with 17 ps lifetime was observed in 2,4-DT while an emissive state was found in 2-AT. TDDFT calculations suggest that 5-AC has a dark nπ* (S 1 ) state below the first allowed ππ* (S 2 ) state, which leads to the ultrafast decay of the ππ* state. In 2,4-DT, there is no dark nπ* state below the bright ππ* (S 1 ) state and the 17 ps lifetime is assigned to the relaxation from the ππ* (S 1 ) state to ground state. Two dark nπ* states (S 1 and S 2 ) were found in 2-AT, which exhibits much more complex excited state dynamics compared with the other two. Photoluminescence in 2-AT has been confirmed to be fluorescence emission from its bright ππ* (S 3 ) state. Our results strongly suggest that electronic structures are very sensitive to the substitution on the triazine ring and that the photophysical properties of nucleic acid analogues depend highly on their molecular structures.

Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.

PubMed

Panchenko, Pavel A; Arkhipova, Antonina N; Fedorova, Olga A; Fedorov, Yuri V; Zakharko, Marina A; Arkhipov, Dmitry E; Jonusauskas, Gediminas

2017-01-04

The photophysical properties of naphthalimide dyes NI1-3 with electron releasing 4-methoxy- (NI1), 3,4-dimethoxystyryl- (NI2) and dimethylaminostyryl (NI3) groups are examined in a variety of protic and aprotic solvents. All compounds demonstrate positive solvatochromism in the steady-state absorption and fluorescence spectra. The analysis of the dependence of the Stokes shift on the polarity of the solvent using the Lippert-Mataga equation allowed us to determine the change in the dipole moment upon excitation. The obtained data correspond to the formation of highly polar charge transfer states. Based on the transient absorption spectra and time-resolved fluorescence measurements, the presence of two different emissive states was definitely proved. The primarily formed planar Local Excited (LE) state dominates in non-polar solvents like cyclohexane and toluene where it relaxes mostly through fluorescence and E,Z-isomerisation pathways. In polar solvents, an alternative relaxation channel emerges that consists of twisting around single bond between styryl and naphthalimide fragments, which leads to the formation of a Twisted Intramolecular Charge Transfer (TICT) state. The factors affecting the fluorescence of TICT states are discussed. The observed spectral effects are rationalized using quantum-chemical calculations, X-ray data and NMR spectroscopy.

Analysis of lunar regolith thermal energy storage

NASA Technical Reports Server (NTRS)

Colozza, Anthony J.

1991-01-01

The concept of using lunar regolith as a thermal energy storage medium was evaluated. The concept was examined by mathematically modeling the absorption and transfer of heat by the lunar regolith. Regolith thermal and physical properties were established through various sources as functions of temperature. Two cases were considered: a semi-infinite, constant temperature, cylindrical heat source embedded in a continuum of lunar regolith and a spherically shaped molten zone of lunar regolith set with an initial temperature profile. The cylindrical analysis was performed in order to examine the amount of energy which can be stored in the regolith during the day. At night, the cylinder acted as a perfect insulator. This cycling was performed until a steady state situation was reached in the surrounding regolith. It was determined that a cycling steady state occurs after approximately 15 day/night cycles. Results were obtained for cylinders of various diameters. The spherical molten zone analysis was performed to establish the amount of thermal energy, within the regolith, necessary to maintain some molten material throughout a nighttime period. This surrounding temperature profile was modeled after the cycling steady state temperature profile established by the cylindrical analysis. It was determined that a molten sphere diameter of 4.76 m is needed to maintain a core temperature near the low end of the melting temperature range throughout one nighttime period.

Photocyclization Reactions of Diarylethenes via the Excited Triplet State.

PubMed

Murata, Ryutaro; Yago, Tomoaki; Wakasa, Masanobu

2015-11-12

Cyclization reactions of three diarylethene derivatives, 1,2-bis(2-methyl-3-benzothienyl)perfluorocyclopentene (BT), 1,2-bis(2-hexyl-3-benzothienyl)perfluorocyclopentene (BTHex), and 1,2-bis(2-isopropyl-3-benzothienyl)perfluorocyclopentene (BTiPr), via their excited triplet states were studied by means of steady-state and nanosecond transient absorption spectroscopy. The excited triplet states of BT, BTHex, and BTiPr were generated by energy transfer from the photoexcited triplet states of sensitizers such as xanthone, phenanthrene, and pyrene. The single-step quantum yields of the cyclization reactions from the excited triplet states of BT, BTHex, and BTiPr were determined to be 0.34, 0.53, and 0.65, respectively. The triplet energies of these three BTs were estimated to be 190-200 kJ mol(-1).

Randomized pharmacokinetic cross-over study comparing two curcumin preparations in plasma and rectal tissue of healthy human volunteers

PubMed Central

Asher, Gary N.; Xie, Ying; Moaddel, Ruin; Sanghvi, Mitesh; Dossou, Katina S.S.; Kashuba, Angela D. M.; Sandler, Robert S.; Hawke, Roy L.

2016-01-01

Curcumin is poorly absorbed driving interest in new preparations. However, little is known about pharmacokinetics and tissue bioavailability between formulations. In this randomized, crossover study we evaluated the relationship between steady-state plasma and rectal tissue curcuminoid concentrations using standard and phosphatidylcholine curcumin extracts. There was no difference in the geometric mean plasma AUCs when adjusted for the 10-fold difference in curcumin dose between the two formulations. Phosphatidylcholine curcumin extract yielded only 20–30% plasma demethoxycurcumin and bisdemethoxycurcumin conjugates compared to standard extract, yet yielded 20-fold greater hexahydrocurcumin. When adjusting for curcumin dose, tissue curcumin concentrations were 5-fold greater for the phosphatidylcholine extract. Improvements in curcuminoid absorption due to phosphatidylcholine are not uniform across the curcuminoids. Furthermore, curcuminoid exposures in the intestinal mucosa are most likely due to luminal exposure rather than plasma disposition. Finally, once-daily dosing is sufficient to maintain detectable curcuminoids at steady-state in both plasma and rectal tissues. PMID:27503249

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures.

PubMed

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R; Crowhurst, Jonathan C; Weisz, David G; Zaug, Joseph M; Dai, Zurong; Radousky, Harry B; Chernov, Alex; Ramon, Erick; Stavrou, Elissaios; Knight, Kim; Fabris, Andrea L; Cappelli, Mark A; Rose, Timothy P

2017-09-01

We present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after they pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.

Resonance Raman study on photoreduction of cytochrome c oxidase: distinction of cytochromes a and a3 in the intermediate oxidation states.

PubMed

Ogura, T; Yoshikawa, S; Kitagawa, T

1985-12-17

Occurrence of photoreduction of bovine cytochrome c oxidase was confirmed with the difference absorption spectra and oxygen consumption measurements for the enzyme irradiated with laser light at 406.7, 441.6, and 590 nm. The resonance Raman spectra were obtained under the same experimental conditions as those adopted for the measurements of oxygen consumption and difference absorption spectra. The photoreduction was more effective upon irradiation at shorter wavelengths and was irreversible under anaerobic conditions. However, upon aeration into the cell, the original oxidized form was restored. It was found that aerobic laser irradiation produces a photo steady state of the catalytic dioxygen reduction and that the Raman scattering from this photo steady state probes cytochrome a2+ and cytochrome a3(3)+ separately upon excitations at 441.6 and 406.7 nm, respectively. The enzyme was apparently protected from the photoreduction in the spinning cell with the spinning speed between 1 and 1500 rpm. These results were explained satisfactorily with the reported rate constant for the electron transfer from cytochrome a to cytochrome a3 (0.58 s-1) and a comparable photoreduction rate of cytochrome a. The anaerobic photoreduction did give Raman lines at 1666 and 214 cm-1, which are characteristic of the ferrous high-spin cytochrome a3(2)+, but they were absent under aerobic photoreduction. The formyl CH = O stretching mode of the a3 heme was observed at 1671 cm-1 for a2+a3(2)+CO but at 1664 cm-1 for a2+a3(2)+CN-, indicating that the CH = O stretching frequency reflects the pi back-donation to the axial ligand similar to the oxidation state marker line (v4).

Heat Transfer Analysis of an Optimized, Flexible Holder System for Freeze-Drying in Dual Chamber Cartridges Using Different State-of-the-Art PAT Tools.

PubMed

Korpus, Christoph; Pikal, Michael; Friess, Wolfgang

2016-11-01

The aim of this study was to determine the heat transfer characteristics of an optimized flexible holder device, using Tunable Diode Laser Absorption Spectroscopy, the Pressure Rise Test, and the gravimetric procedure. Two different controlled nucleation methods were tested, and an improved sublimation process, "preheated plate," was developed. Tunable Diode Laser Absorption Spectroscopy identified an initial sublimation burst phase. Accordingly, steady-state equations were adapted for the gravimetric procedure, to account for this initial non-steady-state period. The heat transfer coefficient, K DCC , describing the transfer from the holder to the DCC, was the only heat transfer coefficient showing a clear pressure dependence with values ranging from 3.81E-04 cal/(g·cm 2 ·K) at 40 mTorr to 7.38E-04 cal/(g·cm 2 ·K) at 200 mTorr. The heat transfer coefficient, K tot , reflecting the overall energy transfer via the holder, increased by around 24% from 40 to 200 mTorr. This resulted in a pressure-independent sublimation rate of around 42 ± 1.06 mg/h over the whole pressure range. Hence, this pressure-dependent increase in energy transfer completely compensated the decrease in driving force of sublimation. The "flexible holder" shows a substantially reduced impact of atypical radiation, improved drying homogeneity, and ultimately a better transferability of the freeze-drying cycle for process optimization. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Multiphoton manipulations of enzymatic photoactivity in aspartate aminotransferase.

PubMed

Hill, Melissa P; Freer, Lucy H; Vang, Mai C; Carroll, Elizabeth C; Larsen, Delmar S

2011-04-21

The aspartate aminotransferase (AAT) enzyme utilizes the chromophoric pyridoxal 5'-phosphate (PLP) cofactor to facilitate the transamination of amino acids. Recently, we demonstrated that, upon exposure to blue light, PLP forms a reactive triplet state that rapidly (in microseconds) generates the high-energy quinonoid intermediate when bound to PLP-dependent enzymes [J. Am. Chem. Soc.2010, 132 (47), 16953-16961]. This increases the net catalytic activity (k(cat)) of AAT, since formation of the quinonoid is partially rate limiting via the thermally activated enzymatic pathway. The magnitude of observed photoenhancement initially scales linearly with pump fluence; however when a critical threshold is exceeded, the photoactivity saturates and is even suppressed at greater excitation fluences. The photodynamic mechanisms associated with this suppression behavior are characterized with the use of ultrafast multipulse pump-dump-probe and pump-repump-probe transient absorption techniques in combination with complementary two-color, steady-state excitation assays. Via multistate kinetic modeling of the transient ultrafast data and the steady-state assay data, the nonmonotonic incident power dependence of the photoactivty in AAT is decomposed into contributions from high-intensity dumping of the excited singlet state and repumping of the excited triplet state with induces the repopulation of the ground state via rapid intersystem crossing in the higher-lying triplet electronic manifold.

Ultrafast responses of dipolar and V-shaped dipicolinate derivatives with potential applications in the labeling of biomolecules

NASA Astrophysics Data System (ADS)

Wang, Yaochuan; Liu, Siyuan; Liu, Dajun; Wang, Guiqiu; Xiao, Haibo

2016-02-01

A dipolar dipicolinate derivative, trans-dimethyl-4-[4'-(N,N-diphenylamino)-styry1]-pyridin-2,6-dicarboxylate (P-1), and a P-1based V-shaped compound, {4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl) vinyl]}-N-phenyl-N-{4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl)vinylphenyl]}aniline (P-2), with intense two-photon fluorescence emission properties were systematically investigated by using steady-state absorption and fluorescence spectroscopy, open-aperture Z-scans, and two-photon excited fluorescence (TPF). The two-photon absorption cross-section of the V-shaped compound P-2 in tetrahydrofuran (THF) was determined to be 208 GM, which represents a 6.5-fold enhancement compared with its dipolar counterpart P-1 (32 GM). Extension of the intramolecular charge transfer (ICT) in the V-shaped dipicolinate derivative has been suggested as the mechanism of enhancement. The excited state dynamics from transient absorption spectroscopy were analyzed and discussed. The formation and relaxation lifetimes of the ICT state for these dipicolinate derivatives in THF solutions were found to be several picoseconds and several hundred picoseconds, respectively. The results show an increased ICT character of the V-shaped compound and a potential application for this compound in two-photon fluorescence imaging fields.

Ultrafast Exciton Delocalization, Localization, and Excimer Formation Dynamics in a Highly Defined Perylene Bisimide Quadruple π-Stack.

PubMed

Kaufmann, Christina; Kim, Woojae; Nowak-Król, Agnieszka; Hong, Yongseok; Kim, Dongho; Würthner, Frank

2018-03-28

An adequately designed, bay-tethered perylene bisimide (PBI) dimer Bis-PBI was synthesized by Pd/Cu-catalyzed Glaser-type oxidative homocoupling of the respective PBI building block. This newly synthesized PBI dimer self-assembles exclusively and with high binding constants of up to 10 6 M -1 into a discrete π-stack of four chromophores. Steady-state absorption and emission spectra show the signatures of H-type excitonic coupling among the dye units. Broadband fluorescence upconversion spectroscopy (FLUPS) reveals an ultrafast dynamics in the optically excited state. An initially coherent Frenkel exciton state that is delocalized over the whole quadruple stack rapidly (τ = ∼200 fs) loses its coherence and relaxes into an excimer state. Comparison with Frenkel exciton dynamics in PBI dimeric and oligomeric H-aggregates demonstrates that in the quadruple stack coherent exciton propagation is absent due to its short length of aggregates, thereby it has only one relaxation pathway to the excimer state. Furthermore, the absence of pump-power dependence in transient absorption experiments suggests that multiexciton cannot be generated in the quadruple stack, which is in line with time-resolved fluorescence measurements.

Long-Lived Photoinduced Charge Separation in a Trinuclear Iron-μ 3 -oxo-based Metal–Organic Framework

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

Hanna, Lauren; Kucheryavy, Pavel; Liu, Cunming

2017-06-14

The presence of long-lived charge-separated excited states in metal-organic frameworks (MOFs) can enhance their photocatalytic activity by decreasing the probability that photogenerated electrons and holes recombine before accessing adsorbed reactants. Detecting these charge separated states via optical transient absorption, however, can be challenging when they lack definitive optical signatures. Here, we investigate the long-lived excited state of a MOF with such vague optical properties, MIL-100(Fe), comprised of Fe3-μ3-oxo clusters and trimesic acid linkers using Fe K-edge X-ray transient absorption (XTA) spectroscopy, to unambiguously determine its ligand-to-metal charge transfer character. Spectra measured at time delays up to 3.6 μs confirm themore » long lived nature of the charge separated excited state. Several trinuclear iron μ3- oxo carboxylate complexes, which model the trinuclear cores of the MOF structure, are measured for comparison using both steady state XAS and XTA to further support this assignment and corresponding decay time. The MOF is prepared as a colloidal nanoparticle suspension for these measurements so both its fabrication and particle size analysis are presented, as well.« less

Light-matter interaction in doped microcavities

NASA Astrophysics Data System (ADS)

Averkiev, N. S.; Glazov, M. M.

2007-07-01

We discuss theoretically the light-matter coupling in a microcavity containing a quantum well with a two-dimensional electron gas. The high density limit where the bound exciton states are absent is considered. The matrix element of an interband optical absorption demonstrates the Mahan singularity [Phys. Rev. B153, 882 (1967); 163, 612 (1967)] due to strong Coulomb effect between the electrons and a photocreated hole. We extend the nonlocal dielectric response theory to calculate the quantum well reflection and transmission coefficients as well as the microcavity transmission spectra. The new eigenmodes of the system are discussed. Their implications for the steady state and time-resolved spectroscopy experiments are analyzed.

Study of X-ray photoionized Fe plasma and comparisons with astrophysical modeling codes

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

Foord, M E; Heeter, R F; Chung, H

The charge state distributions of Fe, Na and F are determined in a photoionized laboratory plasma using high resolution x-ray spectroscopy. Independent measurements of the density and radiation flux indicate the ionization parameter {zeta} in the plasma reaches values {zeta} = 20-25 erg cm s{sup -1} under near steady-state conditions. A curve-of-growth analysis, which includes the effects of velocity gradients in a one-dimensional expanding plasma, fits the observed line opacities. Absorption lines are tabulated in the wavelength region 8-17 {angstrom}. Initial comparisons with a number of astrophysical x-ray photoionization models show reasonable agreement.

Far-ultraviolet Spectroscopy of the Nova-like Variable KQ Monocerotis: A New SW Sextantis Star?

NASA Astrophysics Data System (ADS)

Wolfe, Aaron; Sion, Edward M.; Bond, Howard E.

2013-06-01

New optical spectra obtained with the SMARTS 1.5 m telescope and archival International Ultraviolet Explorer (IUE) far-ultraviolet (FUV) spectra of the nova-like variable KQ Mon are discussed. The optical spectra reveal Balmer lines in absorption as well as He I absorption superposed on a blue continuum. The 2011 optical spectrum is similar to the KPNO 2.1 m IIDS spectrum we obtained 33 years earlier except that the Balmer and He I absorption is stronger in 2011. Far-ultraviolet IUE spectra reveal deep absorption lines due to C II, Si III, Si IV, C IV, and He II, but no P Cygni profiles indicative of wind outflow. We present the results of the first synthetic spectral analysis of the IUE archival spectra of KQ Mon with realistic optically thick, steady-state, viscous accretion-disk models with vertical structure and high-gravity photosphere models. We find that the photosphere of the white dwarf (WD) contributes very little FUV flux to the spectrum and is overwhelmed by the accretion light of a steady disk. Disk models corresponding to a WD mass of ~0.6 M ⊙, with an accretion rate of order 10-9 M ⊙ yr-1 and disk inclinations between 60° and 75°, yield distances from the normalization in the range of 144-165 pc. KQ Mon is discussed with respect to other nova-like variables. Its spectroscopic similarity to the FUV spectra of three definite SW Sex stars suggests that it is likely a member of the SW Sex class and lends support to the possibility that the WD is magnetic.

Dermal uptake of petroleum substances.

PubMed

Jakasa, Ivone; Kezic, Sanja; Boogaard, Peter J

2015-06-01

Petroleum products are complex substances comprising varying amounts of linear and branched alkanes, alkenes, cycloalkanes, and aromatics which may penetrate the skin at different rates. For proper interpretation of toxic hazard data, understanding their percutaneous absorption is of paramount importance. The extent and significance of dermal absorption of eight petroleum substances, representing different classes of hydrocarbons, was evaluated. Literature data on the steady-state flux and permeability coefficient of these substances were evaluated and compared to those predicted by mathematical models. Reported results spanned over 5-6 orders of magnitude and were largely dependent on experimental conditions in particular on the type of the vehicle used. In general, aromatic hydrocarbons showed higher dermal absorption than more lipophilic aliphatics with similar molecular weight. The results showed high variation and were largely influenced by experimental conditions emphasizing the need of performing the experiments under "in use" scenario. The predictive models overestimated experimental absorption. The overall conclusion is that, based on the observed percutaneous penetration data, dermal exposure to petroleum hydrocarbons, even of aromatics with highest dermal absorption is limited and highly unlikely to be associated with health risks under real use scenarios. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Evaluation of in vitro percutaneous absorption of lorazepam and clonazepam from hydro-alcoholic gel formulations.

PubMed

Puglia, C; Bonina, F; Trapani, G; Franco, M; Ricci, M

2001-10-09

Clonazepam and lorazepam are two anxiolytics, antidepressant agents, having suitable features for transdermal delivery. The objectives of this study were to evaluate the in vitro percutaneous absorption of these drugs through excised human skin (stratum corneum and epidermis, SCE) and to determine their in vitro permeation behavior from a series of hydro-alcoholic gel formulations containing various enhancing agents. The best permeation profile was obtained for both drugs applying them together with Azone in combination with propylene glycol (PG): these enhancers were able to increase the clonazepam and lorazepam percutaneous fluxes at steady-state about threefold, compared to the free enhancer formulations (Control). To explain the mechanism of the used promoters, the benzodiazepine diffusion and partitioning coefficients from the gel containing the enhancers were calculated. The results indicated that the Azone in combination with PG could act by increasing the benzodiazepine diffusion coefficients, Transcutol increased only the SC/vehicle partition coefficients, limonene in combination with PG appeared to increase both partition and diffusion coefficients moderately, while PG did not increase both the parameters. Furthermore, to evaluate the potential application of tested benzodiazepine formulations containing Azone in combination with PG using the flux values from the in vitro experiments, the corresponding steady-state plasma concentrations (C(SS)) were calculated. The obtained calculated C(SS) values are within the lorazepam therapeutic range and suggest that transdermal delivery of this drug could be regarded as feasible.

Improved bioavailability and clinical response in patients with chronic liver disease following the administration of a spironolactone: β-cyclodextrin complex

PubMed Central

Abosehmah-Albidy, A. Z. M.; York, P.; Wong, V.; Losowsky, M. S.; Chrystyn, H.

1997-01-01

Aims To compare the absorption and clinical effect of spironolactone from an inclusion complex with β-cyclodextrin (SP-COMP) to Aldactone tablets (ALD) in chronic liver disease. Methods Patients, admitted with chronic liver disease, completed a randomized crossover steady state study. They received their spironolactone dose as either daily SP-COMP or ALD for 7 days. Serial blood samples were drawn over a 24 h period from day 7 of each therapy. Accurate fluid balance was recorded on days 5–7 and 12–14. Thirteen (six females) whose mean (s.d.) age and weight was 58.4(9.3) years and 74.3(19.0) kg completed the study. Results The mean (95% confidence limits) relative bioavailability for SP-COMP (compared with ALD) from steady state serum concentrations of canrenone, 6β-hydroxyl 7α-thiomethyl spironolactone and 7α-thiomethyl spironolactone was 310.0 (265.4, 336.7), 233.4(212.9, 250.8) and 254.8(230.8, 279.0)%, respectively. Improvements in clinical status and fluid balance occurred over the last 3 days of SP-COMP with a mean (s.d.) net loss, in fluid balance, of 1370(860)ml compared with a gain of 228(936)ml during ALD. Conclusions Better absorption of spironolactone from the spironolactone: β-cyclodextrin complex formulation should lead to a reduction in dosage and perhaps a more consistent effect in patients with chronic liver disease. PMID:9241094

Spectral and kinetic effects accompanying the assembly of core complexes of Rhodobacter sphaeroides.

PubMed

Freiberg, Arvi; Chenchiliyan, Manoop; Rätsep, Margus; Timpmann, Kõu

2016-11-01

In the present work, spectral and kinetic changes accompanying the assembly of the light-harvesting 1 (LH1) complex with the reaction center (RC) complex into monomeric RC-LH1 and dimeric RC-LH1-PufX core complexes of the photosynthetic purple bacterium Rhodobacter sphaeroides are systematically studied over the temperature range of 4.5-300K. The samples were interrogated with a combination of optical absorption, hole burning, fluorescence excitation, steady state and picosecond time resolved fluorescence spectroscopy. Fair additivity of the LH1 and RC absorption spectra suggests rather weak electronic coupling between them. A low-energy tail revealed at cryogenic temperatures in the absorption spectra of both monomeric and dimeric core complexes is proved to be due to the special pair of the RC. At selected excitation intensity and temperature, the fluorescence decay time of core complexes is shown to be a function of multiple factors, most importantly of the presence/absence of RCs, the supramolecular architecture (monomeric or dimeric) of the complexes, and whether the complexes were studied in a native membrane environment or in a detergent - purified state. Copyright © 2016 Elsevier B.V. All rights reserved.

Synthesis, characterization, and spectroscopic investigation of benzoxazole conjugated Schiff bases.

PubMed

Santos, Fabiano S; Costa, Tania M H; Stefani, Valter; Gonçalves, Paulo F B; Descalzo, Rodrigo R; Benvenutti, Edilson V; Rodembusch, Fabiano S

2011-11-24

Two Schiff bases were synthesized by reaction of 2-(4'-aminophenyl)benzoxazole derivatives with 4-N,N-diethylaminobenzaldehyde. UV-visible (UV-vis) and steady-state fluorescence in solution were applied in order to characterize its photophysical behavior. The Schiff bases present absorption in the UV region with fluorescence emission in the blue-green region, with a large Stokes' shift. The UV-vis data indicates that each dye behaves as two different chromophores in solution in the ground state. The fluorescence emission spectra of the dye 5a show that an intramolecular proton transfer (ESIPT) mechanism takes place in the excited state, whereas a twisted internal charge transfer (TICT) state is observed for the dye 5b. Theoretical calculations were performed in order to study the conformation and polarity of the molecules at their ground and excited electronic states. Using density functional theory (DFT) methods at theoretical levels BLYP/Aug-SV(P) for geometry optimizations and B3LYP/6-311++G(2d,p) for single-point energy evaluations, the calculations indicate that the lowest energy conformations are in all cases nonplanar and that the dipole moments of the excited state relaxed structures are much larger than those of the ground state structures, which corroborates the experimental UV-vis absorption results.

Ultrafast excited-state dynamics of RNA and DNA C tracts

NASA Astrophysics Data System (ADS)

Cohen, Boiko; Larson, Matthew H.; Kohler, Bern

2008-06-01

The excited-state dynamics of the RNA homopolymer of cytosine and of the 18-mer (dC) 18 were studied by steady-state and time-resolved absorption and emission spectroscopy. At pH 6.8, excitation of poly(rC) by a femtosecond UV pump pulse produces excited states that decay up to one order of magnitude more slowly than the excited states formed in the mononucleotide cytidine 5'-monophosphate under the same conditions. Even slower relaxation is observed for the hemiprotonated, self-associated form of poly(rC), which is stable at acidic pH. Transient absorption and time-resolved fluorescence signals for (dC) 18 at pH 6.8 are similar to ones observed for poly(rC) near pH 4, indicating that hemiprotonated structures are found in DNA C tracts at neutral pH. In both systems, there is evidence for two kinds of emitting states with lifetimes of ˜100 ps and slightly more than 1 ns. The former states are responsible for the bulk of emission from the hemiprotonated structures. Evidence suggests that slow electronic relaxation in these self-complexes is the result of vertical base stacking. The similar signals from RNA and DNA C tracts suggest a common base-stacked structure, which may be identical with that of i-motif DNA.

A new screening method for flunitrazepam in vodka and tequila by fluorescence spectroscopy.

PubMed

Leesakul, Nararak; Pongampai, Sirintip; Kanatharana, Proespichaya; Sudkeaw, Pravit; Tantirungrotechai, Yuthana; Buranachai, Chittanon

2013-01-01

A new screening method for flunitrazepam in colourless alcoholic beverages based on a spectroscopic technique is proposed. Absorption and steady-state fluorescence of flunitrazepam and its protonated form with various acids were investigated. The redshift of the wavelength of maximum absorption was distinctively observed in protonated flunitrazepam. An emissive fluorescence at 472 nm was detected in colourless spirits (vodka and tequila) at room temperature. 2-M perchloric acid was the most appropriated proton source. By using electron ionization mass spectrometry and time-dependent density functional theory calculations, the possible structure of protonated flunitrazepam was identified to be 2-nitro-N-methylacridone, an acridone derivative as opposed to 2-methylamino-5-nitro-2'-fluorobenzophenone, a benzophenone derivative. Copyright © 2012 John Wiley & Sons, Ltd.

Solvent dependence of the steady-state rate of 1O 2 generation upon excitation of dissolved oxygen by cw 1267 nm laser radiation in air-saturated solutions: Estimates of the absorbance and molar absorption coefficients of oxygen at the excitation wavelength

NASA Astrophysics Data System (ADS)

Krasnovsky, A. A., Jr.; Roumbal, Ya. V.; Ivanov, A. V.; Ambartzumian, R. V.

2006-10-01

The rates of oxygenation of the 1O 2 trap, 1,3-diphenylisobenzofuran were measured in air-saturated organic solvents and heterogeneous D 2O-sodium dodecyl sulfate dispersions upon infrared (1267 ± 4 nm) laser irradiation. The absorbance and molar absorption coefficients of oxygen corresponding to this wavelength were estimated from the observed oxygenation rates. The data suggest that 1O 2 was formed due to direct oxygen excitation without appreciable involvement of vibrationally excited solvent molecules. The minor 'pseudophase' of detergent micelles was shown to strongly enhance overall 1O 2 production in D 2O-detergent dispersions.

Effects of single atom doping on the ultrafast electron dynamics of M1Au24(SR)18 (M = Pd, Pt) nanoclusters

NASA Astrophysics Data System (ADS)

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y.; Nobusada, Katsuyuki; Jin, Rongchao

2016-03-01

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications. Electronic supplementary information (ESI) available: The pump dependent transient absorption spectra and the corresponding global analysis results. See DOI: 10.1039/c6nr01008c

Ultrafast dynamics of differently aligned COOH-DTE-BODIPY conjugates linked to the surface of TiO2

NASA Astrophysics Data System (ADS)

Schweighöfer, Felix; Yüce, Imanuel; Dworak, Lars; Guo, Peng; Zastrow, Marc; Mayer, Kerstin; Barta, Christoph; Liebmann, Diana; Ziebart, Nandor; Rück-Braun, Karola; Wachtveitl, Josef

2018-02-01

The photoinduced dynamics of two DTE-BODIPY conjugates A, B with carboxylic acid anchoring groups coupled to the surface of TiO2 were studied by ultrafast transient absorption spectroscopy. For compound A, with an orthogonal orientation of the BODIPY chromophore and the photoswitchable DTE unit, a charge separated state could not be reliably detected. Nevertheless, besides the energy transfer from the BODIPY to the ring-closed DTE-c, indications for an electron transfer reaction were found by analyzing fluorescence quenching on TiO2 in steady state fluorescence measurements. For compound B with a parallel orientation of chromophore and photoswitch, a charge separated state was conclusively identified for the coupled dyad (TiO2) via the observation of a positive absorption signal (at λ pr  >  610 nm) at later delay times. An electron transfer rate of 7  ×  1010 s-1 can be extracted, indicating slower processes in the dyads in comparison to previously published electron transfer reactions of DTE compounds coupled to TiO2.

Ultrafast dynamics of differently aligned COOH-DTE-BODIPY conjugates linked to the surface of TiO2.

PubMed

Schweighöfer, Felix; Yüce, Imanuel; Dworak, Lars; Guo, Peng; Zastrow, Marc; Mayer, Kerstin; Barta, Christoph; Liebmann, Diana; Ziebart, Nandor; Rück-Braun, Karola; Wachtveitl, Josef

2018-01-05

The photoinduced dynamics of two DTE-BODIPY conjugates A, B with carboxylic acid anchoring groups coupled to the surface of TiO 2 were studied by ultrafast transient absorption spectroscopy. For compound A, with an orthogonal orientation of the BODIPY chromophore and the photoswitchable DTE unit, a charge separated state could not be reliably detected. Nevertheless, besides the energy transfer from the BODIPY to the ring-closed DTE-c, indications for an electron transfer reaction were found by analyzing fluorescence quenching on TiO 2 in steady state fluorescence measurements. For compound B with a parallel orientation of chromophore and photoswitch, a charge separated state was conclusively identified for the coupled dyad (TiO 2 ) via the observation of a positive absorption signal (at λ pr   >  610 nm) at later delay times. An electron transfer rate of 7  ×  10 10 s -1 can be extracted, indicating slower processes in the dyads in comparison to previously published electron transfer reactions of DTE compounds coupled to TiO 2 .

Artificial Photosynthetic Reaction Center Exhibiting Acid-Responsive Regulation of Photoinduced Charge Separation

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

Pahk, Ian; Kodis, Gerdenis; Fleming, Graham R.

Charge separation (CS) is the primary light-driven reaction in photosynthesis whereas onphotochemical quenching (NPQ) is a photoprotective regulatory mechanism employed by many photosynthetic organisms to dynamically modulate energy flow within the photosynthetic apparatus in response to fluctuating light conditions. Activated by decreases in lumen pH produced during periods of high photon flux, NPQ induces rapid thermal dissipation of excess excitation energy. As a result, the rate of CS decreases, thereby limiting the accumulation of potentially deleterious reactive intermediates and byproducts. In this article, a molecular triad that functionally mimics the effects of NPQ associated with an artificial photosynthetic reaction centermore » is described. Steady-state absorption and emission, time-resolved fluorescence, and transient absorption spectroscopies have been used to demonstrate a 1 order of magnitude reduction in the CS quantum yield via reversible protonation of an excited-state-quenching molecular switch moiety. As in the natural system, the populations of unquenched and quenched states and therefore the overall yields of CS were found to be dependent on acid concentration.« less

ABSIM. Simulation of Absorption Systems in Flexible and Modular Form

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

Grossman, G.

1994-06-01

The computer code has been developed for simulation of absorption systems at steady-state in a flexible and modular form, making it possible to investigate various cycle configurations with different working fluids. The code is based on unit subroutines containing the governing equations for the system`s components. When all the equations have been established, a mathematical solver routine is employed to solve them simultaneously. Property subroutines contained in a separate data base serve to provide thermodynamic properties of the working fluids. The code is user-oriented and requires a relatively simple input containing the given operating conditions and the working fluid atmore » each state point. the user conveys to the computer an image of the cycle by specifying the different components and their interconnections. Based on this information, the program calculates the temperature, flowrate, concentration, pressure and vapor fraction at each state point in the system and the heat duty at each unit, from which the coefficient of performance may be determined. A graphical user-interface is provided to facilitate interactive input and study of the output.« less

ABSIM. Simulation of Absorption Systems in Flexible and Modular Form

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

Grossman, G.

1994-06-01

The computer code has been developed for simulation of absorption systems at steady-state in a flexible and modular form, making it possible to investigate various cycle configurations with different working fluids. The code is based on unit subroutines containing the governing equations for the system's components. When all the equations have been established, a mathematical solver routine is employed to solve them simultaneously. Property subroutines contained in a separate data base serve to provide thermodynamic properties of the working fluids. The code is user-oriented and requires a relatively simple input containing the given operating conditions and the working fluid atmore » each state point. the user conveys to the computer an imagev of the cycle by specifying the different components and their interconnections. Based on this information, the program calculates the temperature, flowrate, concentration, pressure and vapor fraction at each state point in the system and the heat duty at each unit, from which the coefficient of performance may be determined. A graphical user-interface is provided to fcilitate interactive input and study of the output.« less

Enhanced absorption cycle computer model

NASA Astrophysics Data System (ADS)

Grossman, G.; Wilk, M.

1993-09-01

Absorption heat pumps have received renewed and increasing attention in the past two decades. The rising cost of electricity has made the particular features of this heat-powered cycle attractive for both residential and industrial applications. Solar-powered absorption chillers, gas-fired domestic heat pumps, and waste-heat-powered industrial temperature boosters are a few of the applications recently subjected to intensive research and development. The absorption heat pump research community has begun to search for both advanced cycles in various multistage configurations and new working fluid combinations with potential for enhanced performance and reliability. The development of working absorption systems has created a need for reliable and effective system simulations. A computer code has been developed for simulation of absorption systems at steady state in a flexible and modular form, making it possible to investigate various cycle configurations with different working fluids. The code is based on unit subroutines containing the governing equations for the system's components and property subroutines containing thermodynamic properties of the working fluids. The user conveys to the computer an image of his cycle by specifying the different subunits and their interconnections. Based on this information, the program calculates the temperature, flow rate, concentration, pressure, and vapor fraction at each state point in the system, and the heat duty at each unit, from which the coefficient of performance (COP) may be determined. This report describes the code and its operation, including improvements introduced into the present version. Simulation results are described for LiBr-H2O triple-effect cycles, LiCl-H2O solar-powered open absorption cycles, and NH3-H2O single-effect and generator-absorber heat exchange cycles. An appendix contains the user's manual.

Promotion of mouse fibroblast collagen gene expression by mast cells stimulated via the Fc epsilon RI. Role for mast cell-derived transforming growth factor beta and tumor necrosis factor alpha

PubMed Central

1994-01-01

Chronic allergic diseases and other disorders associated with mast cell activation can also be associated with tissue fibrosis, but a direct link between mast cell mediator release and fibroblast collagen gene expression has not been established. Using in situ hybridization, we show that the elicitation of an IgE-dependent passive cutaneous anaphylaxis (PCA) reaction in mice results in a transient, but marked augmentation of steady state levels of type alpha-1 (I) collagen mRNA in the dermis. While peak levels of collagen mRNA expression in the skin are observed 16-24 h after mast cell activation, substantial numbers of dermal cells are strongly positive for collagen mRNA at 1 and 2 h after antigen challenge, before circulating inflammatory cells are recruited into the tissues. Furthermore, experiments in mast cell- reconstituted or genetically mast cell-deficient WBB6F1-W/Wv mice demonstrate that the increased expression of collagen mRNA at sites of PCA reactions is entirely mast cell dependent. In vitro studies show that the supernatants of mouse serosal mast cells activated via the Fc epsilon RI markedly increase type alpha-1 (I) collagen mRNA levels in mouse embryonic skin fibroblasts, and also upregulate collagen secretion by these cells. The ability of mast cell supernatants to induce increased steady state levels of collagen mRNA in mouse skin fibroblasts is markedly diminished by absorption with antibodies specific for either of two mast cell-derived cytokines, transforming growth factor beta (TGF-beta 1) or tumor necrosis factor alpha (TNF- alpha), and is eliminated entirely by absorption with antibodies against both cytokines. Taken together, these findings demonstrate that IgE-dependent mouse mast cell activation can induce a transient and marked increase in steady state levels of type alpha-1 (I) collagen mRNA in dermal fibroblasts and that mast cell-derived TGF-beta 1 and TNF-alpha importantly contribute to this effect. PMID:7964480

On the geometry dependence of differential pathlength factor for near-infrared spectroscopy. I. Steady-state with homogeneous medium

PubMed Central

Piao, Daqing; Barbour, Randall L.; Graber, Harry L.; Lee, Daniel C.

2015-01-01

Abstract. This work analytically examines some dependences of the differential pathlength factor (DPF) for steady-state photon diffusion in a homogeneous medium on the shape, dimension, and absorption and reduced scattering coefficients of the medium. The medium geometries considered include a semi-infinite geometry, an infinite-length cylinder evaluated along the azimuthal direction, and a sphere. Steady-state photon fluence rate in the cylinder and sphere geometries is represented by a form involving the physical source, its image with respect to the associated extrapolated half-plane, and a radius-dependent term, leading to simplified formula for estimating the DPFs. With the source-detector distance and medium optical properties held fixed across all three geometries, and equal radii for the cylinder and sphere, the DPF is the greatest in the semi-infinite and the smallest in the sphere geometry. When compared to the results from finite-element method, the DPFs analytically estimated for 10 to 25 mm source–detector separations on a sphere of 50 mm radius with μa=0.01  mm−1 and μs′=1.0  mm−1 are on average less than 5% different. The approximation for sphere, generally valid for a diameter ≥20 times of the effective attenuation pathlength, may be useful for rapid estimation of DPFs in near-infrared spectroscopy of an infant head and for short source–detector separation. PMID:26465613

Gravimetric analysis and differential scanning calorimetric studies on glycerin-induced skin hydration.

PubMed

Lee, Ae-Ri Cho; Moon, Hee Kyung

2007-11-01

A thermal gravimetric analysis (TGA) and a differential scanning calorimetry (DSC) were carried out to characterize the water property and an alteration of lipid phase transition of stratum corneum (SC) by glycerin. In addition, the relationship between steady state skin permeation rate and skin hydration in various concentrations of glycerin was investigated. Water vapor absorption-desorption was studied in the hairless mouse stratum corneum. Dry SC samples were exposed to different conc. of glycerin (0-50%) followed by exposure to dry air and the change in weight property was monitored over time by use of TGA. In DSC study, significant decrease in DeltaH of the lipid transition in 10% glycerin and water treated sample: the heat of lipid transition of normal, water, 10% glycerin treated SC were 6.058, 4.412 and 4.316 mJ/mg, respectively. In 10% glycerin treated SCs, the Tc of water shifts around 129 degrees C, corresponding to the weakly bound secondary water. In 40% glycerin treated SC, the Tc of water shifts to 144 degrees C corresponding to strongly bound primary water. There was a good correlation between the hydration property of the skin and the steady state skin flux with the correlation coefficient (r2=0.94). As the hydration increased, the steady state flux increased. As glycerin concentration increased, hydration property decreased. High diffusivity induced by the hydration effect of glycerin and water could be the major contributing factor for the enhanced skin permeation of nicotinic acid (NA).

Squeezing resulting from a fourth-order interaction in a degenerate parametric amplifier with absorption losses

NASA Astrophysics Data System (ADS)

Garca Fernández, P.; Colet, P.; Toral, R.; San Miguel, M.; Bermejo, F. J.

1991-05-01

The squeezing properties of a model of a degenerate parametric amplifier with absorption losses and an added fourth-order nonlinearity have been analyzed. The approach used consists of obtaining the Langevin equation for the optical field from the Heisenberg equation provided that a linearization procedure is valid. The steady states of the deterministic equations have been obtained and their local stability has been analyzed. The stationary covariance matrix has been calculated below and above threshold. Below threshold, a squeezed vacuum state is obtained and the nonlinear effects in the fluctuations have been taken into account by a Gaussian decoupling. In the case above threshold, a phase-squeezed coherent state is obtained and numerical simulations allowed to compute the time interval, depending on the loss parameter, on which the system jumps from one stable state to the other. Finally, the variances numerically determined have been compared with those obtained from the linearized theory and the limits of validity of the linear theory have been analyzed. It has become clear that the nonlinear contribution may perhaps be profitably used for the construction of above-threshold squeezing devices.

Synthesis, spectral behaviour and photophysics of donor-acceptor kind of chalcones: Excited state intramolecular charge transfer and fluorescence quenching studies

NASA Astrophysics Data System (ADS)

Pannipara, Mehboobali; Asiri, Abdullah M.; Alamry, Khalid A.; Arshad, Muhammad N.; El-Daly, Samy A.

2015-02-01

The spectral and photophysical properties of two chalcones containing electron donating and accepting groups with intramolecular charge transfer characteristics were synthesized and characterized by 1H NMR, 13C NMR and X-ray crystallography. Both compounds show very strong solvent polarity dependent changes in their photophysical characteristics, namely, remarkable red shift in the emission spectra with increasing solvent polarity, large change in Stokes shift, significant reduction in the fluorescence quantum yield; indicating that the fluorescence states of these compounds are of intramolecular charge transfer (ICT) character. The solvent effect on the photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of both compounds have been investigated comprehensively. For both dyes, Lippert-Mataga and Reichardt's correlations were used to estimate the difference between the excited and ground state dipole moments (Δμ). The interactions of dyes with colloidal silver nanoparticles (Ag NPs) were also studied in ethanol using steady state fluorescence quenching measurements. The fluorescence quenching data reveal that dynamic quenching and energy transfer play a major role in the fluorescence quenching of dyes by Ag NPs.

Tuning the Direction of Intramolecular Charge Transfer and the Nature of the Fluorescent State in a T-Shaped Molecular Dyad.

PubMed

Felouat, Abdellah; D'Aléo, Anthony; Charaf-Eddin, Azzam; Jacquemin, Denis; Le Guennic, Boris; Kim, Eunsun; Lee, Kwang Jin; Woo, Jae Heun; Ribierre, Jean-Charles; Wu, Jeong Weon; Fages, Frédéric

2015-06-18

Controlling photoinduced intramolecular charge transfer at the molecular scale is key to the development of molecular devices for nanooptoelectronics. Here, we describe the design, synthesis, electronic characterization, and photophysical properties of two electron donor-acceptor molecular systems that consist of tolane and BF2-containing curcuminoid chromophoric subunits connected in a T-shaped arrangement. The two π-conjugated segments intersect at the electron acceptor dioxaborine core. From steady-state electronic absorption and fluorescence emission, we find that the photophysics of the dialkylamino-substituted analogue is governed by the occurrence of two closely lying excited states. From DFT calculations, we show that excitation in either of these two states results in a distinct shift of the electron density, whether it occurs along the curcuminoid or tolane moiety. Femtosecond transient absorption spectroscopy confirmed these findings. As a consequence, the nature of the emitting state and the photophysical properties are strongly dependent on solvent polarity. Moreover, these characteristics can also be switched by protonation or complexation at the nitrogen atom of the amino group. These features set new approaches toward the construction of a three-terminal molecular system in which the lateral branch would transduce a change of electronic state and ultimately control charge transport in a molecular-scale device.

Interaction of Merocyanine 540 with serum albumins: photophysical and binding studies.

PubMed

Banerjee, Mousumi; Pal, Uttam; Subudhhi, Arijita; Chakrabarti, Abhijit; Basu, Samita

2012-03-01

Photophysical studies on binding interactions of a negatively charged anti-tumor photosensitizer, Merocyanine 540 (MC 540), with serum proteins, bovine serum albumin (BSA) and human serum albumin (HSA), have been performed using absorption and steady-state as well as time-resolved fluorescence techniques. Formation of ground state complex has been confirmed from the detailed studies of absorption spectra of MC 540 in presence of SAs producing isosbestic points. Binding between the proteins and MC 540, which perturbs the existing equilibrium between the fluorescent monomer and its non-fluorescent dimer, induces a remarkable enhancement in fluorescence anisotropy and intensity of MC 540 along with a red shift of its maximum. The binding stoichiometry of MC 540 and SAs are more than 1.0 which depicts that two types of complexes, i.e., 1:1 and 2:1 are formed with addition of varied concentration of protein. Both the steady-state and time-resolved fluorescence results show that in 2:1 complex one of the MC 540 molecules is exposed towards aqueous environment with a greater extent when bound with HSA compared to BSA due to the structural flexibility of that protein. Thermodynamic analyses using van't Hoff plot indicate that the binding between MC 540 and individual SA is an entropy-driven phenomenon. The probable hydrophobic binding site has been located by denaturation of proteins, micropolarity measurement and Förster resonance energy transfer and that is further supported by molecular docking studies. Changes in circular dichroism spectra of BSA in presence of MC 540 depict secondary structural changes of the protein. The induced-CD shows that BSA due to its rigid structure generates chirality in MC 540 much more efficiently compared to HSA. Copyright © 2011 Elsevier B.V. All rights reserved.

Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes.

PubMed

Santos, Fabiano da Silveira; Descalzo, Rodrigo Roceti; Gonçalves, Paulo Fernando Bruno; Benvenutti, Edilson Valmir; Rodembusch, Fabiano Severo

2012-08-21

Two azo compounds were obtained through the diazotization reaction of aminobenzazole derivatives and N,N-dimethylaniline using clay montmorillonite KSF as catalyst. The synthesized dyes were characterized using elemental analysis, Fourier transform infrared spectroscopy, and (13)C and (1)H NMR spectroscopy in solution. Their photophysical behavior was studied using UV-vis and steady-state fluorescence in solution. These dyes present intense absorption in the blue region. The spectral features of the azo compounds can be related to the pseudo-stilbene type as well as the E isomer of the dyes. Excitation at the absorption maxima does not produce emissive species in the excited state. However, excitation around 350 nm allowed dual emission of fluorescence, from both a locally excited (LE, short wavelength) and an intramolecular charge transfer (ICT, long wavelength) state, which was corroborated by a linear relation of the fluorescence maximum (ν(max)) versus the solvent polarity function (Δf) from the Lippert-Mataga correlation. Evidence of TICT in these dyes was discussed from the viscosity dependence of the fluorescence intensity in the ICT emission band. Theoretical calculations were also performed in order to study the geometry and charge distribution of the dyes in their ground and excited electronic states. Using DFT methods at the theoretical levels BLYP/Aug-cc-pVDZ, for geometry optimizations and frequency calculations, and B3LYP/6-311+G(2d), for single-point energy evaluations, the calculations revealed that the least energetic and most intense photon absorption leads to a very polar excited state that relaxes non-radioactively, which can be associated with photochemical isomerization.

Spectroscopic studies of two spectral variants of light-harvesting complex 2 (LH2) from the photosynthetic purple sulfur bacterium Allochromatium vinosum.

PubMed

Niedzwiedzki, Dariusz M; Bina, David; Picken, Nichola; Honkanen, Suvi; Blankenship, Robert E; Holten, Dewey; Cogdell, Richard J

2012-09-01

Two spectral forms of the peripheral light-harvesting complex (LH2) from the purple sulfur photosynthetic bacterium Allochromatium vinosum were purified and their photophysical properties characterized. The complexes contain bacteriochlorophyll a (BChl a) and multiple species of carotenoids. The composition of carotenoids depends on the light conditions applied during growth of the cultures. In addition, LH2 grown under high light has a noticeable split of the B800 absorption band. The influence of the change of carotenoid distribution as well as the spectral change of the excitonic absorption of the bacteriochlorophylls on the light-harvesting ability was studied using steady-state absorption, fluorescence and femtosecond time-resolved absorption at 77K. The results demonstrate that the change of the distribution of the carotenoids when cells were grown at low light adapts the absorptive properties of the complex to the light conditions and maintains maximum photon-capture performance. In addition, an explanation for the origin of the enigmatic split of the B800 absorption band is provided. This spectral splitting is also observed in LH2 complexes from other photosynthetic sulfur purple bacterial species. According to results obtained from transient absorption spectroscopy, the B800 band split originates from two spectral forms of the associated BChl a monomeric molecules bound within the same complex. Copyright © 2012 Elsevier B.V. All rights reserved.

Inkjet printed fluorescent nanorod layers exhibit superior optical performance over quantum dots

NASA Astrophysics Data System (ADS)

Halivni, Shira; Shemesh, Shay; Waiskopf, Nir; Vinetsky, Yelena; Magdassi, Shlomo; Banin, Uri

2015-11-01

Semiconductor nanocrystals exhibit unique fluorescence properties which are tunable in size, shape and composition. The high quantum yield and enhanced stability have led to their use in biomedical imaging and flat panel displays. Here, semiconductor nanorod based inkjet inks are presented, overcoming limitations of the commonly reported quantum dots in printing applications. Fluorescent seeded nanorods were found to be outstanding candidates for fluorescent inks, due to their low particle-particle interactions and negligible self-absorption. This is manifested by insignificant emission shifts upon printing, even in highly concentrated printed layers and by maintenance of a high fluorescence quantum yield, unlike quantum dots which exhibit fluorescence wavelength shifts and quenching effects. This behavior results from the reduced absorption/emission overlap, accompanied by low energy transfer efficiencies between the nanorods as supported by steady state and time resolved fluorescence measurements. The new seeded nanorod inks enable patterning of thin fluorescent layers, for demanding light emission applications such as signage and displays.Semiconductor nanocrystals exhibit unique fluorescence properties which are tunable in size, shape and composition. The high quantum yield and enhanced stability have led to their use in biomedical imaging and flat panel displays. Here, semiconductor nanorod based inkjet inks are presented, overcoming limitations of the commonly reported quantum dots in printing applications. Fluorescent seeded nanorods were found to be outstanding candidates for fluorescent inks, due to their low particle-particle interactions and negligible self-absorption. This is manifested by insignificant emission shifts upon printing, even in highly concentrated printed layers and by maintenance of a high fluorescence quantum yield, unlike quantum dots which exhibit fluorescence wavelength shifts and quenching effects. This behavior results from the reduced absorption/emission overlap, accompanied by low energy transfer efficiencies between the nanorods as supported by steady state and time resolved fluorescence measurements. The new seeded nanorod inks enable patterning of thin fluorescent layers, for demanding light emission applications such as signage and displays. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06248a

The early faint sun paradox: organic shielding of ultraviolet-labile greenhouse gases

NASA Technical Reports Server (NTRS)

Sagan, C.; Chyba, C.

1997-01-01

Atmospheric mixing ratios of approximately 10(-5 +/- 1) for ammonia on the early Earth would have been sufficient, through the resulting greenhouse warming, to counteract the temperature effects of the faint early sun. One argument against such model atmospheres has been the short time scale for ammonia photodissociation by solar ultraviolet light. Here it is shown that ultraviolet absorption by steady-state amounts of high-altitude organic solids produced from methane photolysis may have shielded ammonia sufficiently that ammonia resupply rates were able to maintain surface temperatures above freezing.

Excited state properties of peridinin: Observation of a solvent dependence of the lowest excited singlet state lifetime and spectral behavior unique among carotenoids

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

Bautista, J.A.; Connors, R.E.; Raju, B.B.

1999-10-14

The spectroscopic properties and dynamic behavior of peridinin in several different solvents were studied by steady-state absorption, fluorescence, and transient optical spectroscopy. The lifetime of the lowest excited singlet state of peridinin is found to be strongly dependent on solvent polarity and ranges from 7 ps in the strongly polar solvent trifluoroethanol to 172 ps in the nonpolar solvents cyclohexane and benzene. The lifetimes show no obvious correlation with solvent polarizability, and hydrogen bonding of the solvent molecules to peridinin is not an important factor in determining the dynamic behavior of the lowest excited singlet state. The wavelengths of emissionmore » maxima, the quantum yields of fluorescence, and the transient absorption spectra are also affected by the solvent environment. A model consistent with the data and supported by preliminary semiempirical calculations invokes the presence of a charge transfer state in the excited state manifold of peridinin to account for the observations. The charge transfer state most probably results from the presence of the lactone ring in the {pi}-electron conjugation of peridinin analogous to previous findings on aminocoumarins and related compounds. The behavior of peridinin reported here is highly unusual for carotenoids, which generally show little dependence of the spectral properties and lifetimes of the lowest excited singlet state on the solvent environment.« less

Optical Properties of Vibronically Coupled Cy3 Dimers on DNA Scaffolds.

PubMed

Cunningham, Paul D; Kim, Young C; Díaz, Sebastián A; Buckhout-White, Susan; Mathur, Divita; Medintz, Igor L; Melinger, Joseph S

2018-05-17

We examine the effect of electronic coupling on the optical properties of Cy3 dimers attached to DNA duplexes as a function of base pair (bp) separation using steady-state and time-resolved spectroscopy. For close Cy3-Cy3 separations, 0 and 1 bp between dyes, intermediate to strong electronic coupling is revealed by modulation of the absorption and fluorescence properties including spectral band shape, peak wavelength, and excited-state lifetime. Using a vibronic exciton model, we estimate coupling strengths of 150 and 266 cm -1 for the 1 and 0 bp separations, respectively, which are comparable to those found in natural light-harvesting complexes. For the strongest electronic coupling (0 bp separation), we observe that the absorption band shape is strongly affected by the base pairs that surround the dyes, where more strongly hydrogen-bonded G-C pairs produce a red-shifted absorption spectrum consistent with a J-type dimer. This effect is studied theoretically using molecular dynamics simulation, which predicts an in-line dye configuration that is consistent with the experimental J-type spectrum. When the Cy3 dimers are in a standard aqueous buffer, the presence of relatively strong electronic coupling is accompanied by decreased fluorescence lifetime, suggesting that it promotes nonradiative relaxation in cyanine dyes. However, we show that the use of a viscous solvent can suppress this nonradiative recombination and thereby restore the dimer fluorescent emission. Ultrafast transient absorption measurements of Cy3 dimers in both standard aqueous buffer and viscous glycerol buffer suggest that sufficiently strong electronic coupling increases the probability of excited-state relaxation through a dark state that is related to Cy3 torsional motion.

Randomized Pharmacokinetic Crossover Study Comparing 2 Curcumin Preparations in Plasma and Rectal Tissue of Healthy Human Volunteers.

PubMed

Asher, Gary N; Xie, Ying; Moaddel, Ruin; Sanghvi, Mitesh; Dossou, Katina S S; Kashuba, Angela D M; Sandler, Robert S; Hawke, Roy L

2017-02-01

Curcumin is poorly absorbed, which is interest in new preparations. However, little is known about variations in its pharmacokinetics and tissue bioavailability between formulations. In this randomized, crossover study we evaluated the relationship between steady-state plasma and rectal tissue curcuminoid concentrations using standard and phosphatidylcholine curcumin extracts. There was no difference in the geometric mean plasma AUCs when adjusted for the 10-fold difference in curcumin dose between the 2 formulations. Phosphatidylcholine curcumin extract yielded only 20% to 30% plasma demethoxycurcumin and bisdemethoxycurcumin conjugates compared to standard extract, yet yielded 20-fold greater hexahydrocurcumin. When adjusting for curcumin dose, tissue curcumin concentrations were 5-fold greater for the phosphatidylcholine extract. Improvements in curcuminoid absorption due to phosphatidylcholine are not uniform across the curcuminoids. Furthermore, curcuminoid exposures in the intestinal mucosa are most likely due to luminal exposure rather than to plasma disposition. Finally, once-daily dosing is sufficient to maintain detectable curcuminoids at steady state in both plasma and rectal tissues. © 2016, The American College of Clinical Pharmacology.

Development of an Early Warning Fire Detection System using Correlation Spectroscopy

NASA Technical Reports Server (NTRS)

Goswami, K.; Voevodkin, G.; Rubstov, V.; Lieberman, R.; Piltch, N.

2001-01-01

Combustion byproducts are numerous. A few examples of the gaseous byproducts include carbon dioxide, carbon monoxide, hydrogen chloride, hydrogen cyanide and ammonia. For detecting these chemical species, classic absorption spectroscopy has been used for many decades, but the sensitivity of steady-state methods is often unsuitable for the detection of trace compounds at the low levels (parts per million to parts per billion) appropriate for scientific purposes. This is particularly so for monitoring equipment, which must be compact and cost-effective, and which is often subjected to shock, vibration, and other environmental effects that can severely degrade the performance of high-sensitivity spectrometers in an aircraft. Steady-state techniques also suffer from a lack of specificity; the deconvolution of the spectra of complex mixtures is a laborious and error prone process. These problems are exacerbated in remote fiber-optic monitoring where, for practical reasons, the fundamental absorbance region of the spectrum (often between 3 and 8 microns) is inaccessible, and the low-strength, closely spaced, near-infrared overtone absorbance bands must be used. We circumvented these challenges by employing correlation spectroscopy, a variation of modulation spectroscopy.

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures

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

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R.

Here, we present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after theymore » pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.« less

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures

DOE PAGES

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R.; ...

2017-09-11

Here, we present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after theymore » pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.« less

Light absorption and the photoformation of hydroxyl radical and singlet oxygen in fog waters

NASA Astrophysics Data System (ADS)

Kaur, R.; Anastasio, C.

2017-09-01

The atmospheric aqueous-phase is a rich medium for chemical transformations of organic compounds, in part via photooxidants generated within the drops. Here we measure light absorption, photoformation rates and steady-state concentrations of two photooxidants - hydroxyl radical (•OH) and singlet molecular oxygen (1O2*) - in 8 illuminated fog waters from Davis, California and Baton Rouge, Louisiana. Mass absorption coefficients for dissolved organic compounds (MACDOC) in the samples are large, with typical values of 10,000-15,000 cm2 g-C-1 at 300 nm, and absorption extends to wavelengths as long as 450-600 nm. While nitrite and nitrate together account for an average of only 1% of light absorption, they account for an average of 70% of •OH photoproduction. Mean •OH photoproduction rates in fogs at the two locations are very similar, with an overall mean of 1.2 (±0.7) μM h-1 under Davis winter sunlight. The mean (±1σ) lifetime of •OH is 1.6 (±0.6) μs, likely controlled by dissolved organic compounds. Including calculated gas-to-drop partitioning of •OH, the average aqueous concentration of •OH is approximately 2 × 10-15 M (midday during Davis winter), with aqueous reactions providing approximately one-third of the hydroxyl radical source. At this concentration, calculated lifetimes of aqueous organics are on the order of 10 h for compounds with •OH rate constants of 1 × 1010 M-1 s-1 or higher (e.g., substituted phenols such as syringol (6.4 h) and guaiacol (8.4 h)), and on the order of 100 h for compounds with rate constants near 1 × 109 M-1 s-1 (e.g., isoprene oxidation products such as glyoxal (152 h), glyoxylic acid (58 h), and pyruvic acid (239 h)). Steady-state concentrations of 1O2* are approximately 100 times higher than those of •OH, in the range of (0.1-3.0) × 10-13 M. Since 1O2* is a more selective oxidant than •OH, it will only react appreciably with electron-rich species such as dimethyl furan (lifetime of 2.0 h) and substituted polycyclic aromatic hydrocarbons (e.g., 9,10-dimethylbenz[a]anthracene with a lifetime of 0.7 h). Comparing our current Davis samples with Davis fogs collected in the late 1990s shows a decrease in dissolved organic carbon content, similar mass absorption coefficients, lower •OH concentrations, but very similar 1O2* concentrations.

Synthesis, characterization and photophysical properties of ferrocenyl and mixed sandwich cobaltocenyl ester linked meso-triaryl corrole dyads

NASA Astrophysics Data System (ADS)

Achary, B. Shivaprasad; Ramya, A. R.; Trivedi, Rajiv; Bangal, P. R.; Giribabu, L.

We report here the design and synthesis of corrole-metallocene dyads consisting of a metallocene (either ferrocene (Dyad 1) or mixed sandwich η5-[C5H4(COOH)]Co(η4-C4Ph4) (Dyad 2)) connected via an ester linkage at meso phenyl position. Both the dyads were characterized by 1H NMR, MALDI-TOF, UV-visible, fluorescence spectroscopies (steady-state, picosecond time-resolved), femtosecond transient absorption spectroscopy (fs-TA) and electrochemical methods. The absorption spectra of these dyads showed slight broadening and splitting of the Soret band that indicates a weak ground state interaction between the corrole macrocycle and metallocene part of the present donor-acceptor (D-A) system. However, in both the dyad systems, fluorescence emission of the corrole was quenched in polar solvents as compared to its parent compound 10-(4-hydroxyphenyl)-5,15-bis-(pentafluorophenyl ) corrole (Ph-Corr). The quenching was more pronounced in ferrocene derivatives than in cobaltocenyl derivatives. Transient absorption studies confirm the absence of photoinduced electron transfer from metallocene to correl for these dyad systems and the quenching of singlet state of corrole is found to enhance intersystem crossing due to heavy atom effect. Corrole-ferrocene and corrole-mixed sandwich η5-[C5H4(COOH)]Co(η4-C4Ph4) dyads have been designed, synthesized and characterized by various spectroscopic techniques. Emission intensitiy of both dyads were quenched in polar solvents whereas transient absorption studies indicates that the quenching coule be due to the heavy atom effect.

Interaction between methyl glyoxal and ascorbic acid: experimental and theoretical aspects

NASA Astrophysics Data System (ADS)

Banerjee, D.; Koll, A.; Filarowski, A.; Bhattacharyya, S. P.; Mukherjee, S.

2004-06-01

The absorption spectral change of methyl glyoxal (MG) due to the interaction with ascorbic acid (AA or Vitamin C) has been investigated using steady-state spectroscopic technique. A plausible explanation for the spectral change has been discussed on the basis of hydrogen bonding interaction between the two interacting species. The equilibrium constant for the complex formation due to hydrogen bonding interaction between MG and AA has been obtained from absorption spectral changes. Ab inito calculations with DFT B3LYP/6/31G (d,p) basis sets have been used to find out the molecular structure of the hydrogen bonded complex. The O⋯H distance found in the OH⋯O hydrogen bond turns out to be quite short (1.974 Å) which is in conformity with the large value of the equilibrium constant determined experimentally.

Transition metal-substituted lead halide perovskite absorbers

DOE PAGES

Sampson, M. D.; Park, J. S.; Schaller, R. D.; ...

2017-01-27

Here, lead halide perovskites have proven to be a versatile class of visible light absorbers that allow rapid access to the long minority carrier lifetimes and diffusion lengths desirable for traditional single-junction photovoltaics. We explore the extent to which the attractive features of these semiconductors may be extended to include an intermediate density of states for future application in multi-level solar energy conversion systems capable of exceeding the Shockley–Queisser limit. We computationally and experimentally explore the substitution of transition metals on the Pb site of MAPbX 3 (MA = methylammonium, X = Br or Cl) to achieve a tunable densitymore » of states within the parent gap. Computational screening identified both Fe- and Co-substituted MAPbBr 3 as promising absorbers with a mid-gap density of states, and the later films were synthesized via conventional solution-based processing techniques. First-principles density functional theory (DFT) calculations support the existence of mid-gap states upon Co incorporation and enhanced sub-gap absorption, which are consistent with UV-visible-NIR absorption spectroscopy. Strikingly, steady state and time-resolved PL studies reveal no sign of self-quenching for Co-substitution up to 25%, which suggest this class of materials to be a worthy candidate for future application in intermediate band photovoltaics.« less

Mimicking Nonequilibrium Steady States with Time-Periodic Driving

DTIC Science & Technology

2016-08-29

nonequilibrium steady states, and vice versa, within the theoretical framework of discrete-state stochastic thermodynamics . Nonequilibrium steady states...equilibrium [2], spontaneous relaxation towards equilibrium [3], nonequilibrium steady states generated by fixed thermodynamic forces [4], and stochastic pumps...paradigm, a system driven by fixed thermodynamic forces—such as temperature gradients or chemical potential differences— reaches a steady state in

Zooxanthellae harvested by ciliates associated with brown band syndrome of corals remain photosynthetically competent.

PubMed

Ulstrup, Karin E; Kühl, Michael; Bourne, David G

2007-03-01

Brown band syndrome is a new coral affliction characterized by a local accumulation of yet-unidentified ciliates migrating as a band along the branches of coral colonies. In the current study, morphologically intact zooxanthellae (= Symbiodinium) were observed in great numbers inside the ciliates (>50 dinoflagellates per ciliate). Microscale oxygen measurements and variable chlorophyll a fluorescence analysis along with microscopic observations demonstrated that zooxanthellae within the ciliates are photosynthetically competent and do not become compromised during the progression of the brown band zone. Zooxanthellae showed similar trends in light acclimation in a comparison of rapid light curve and steady-state light curve measures of variable chlorophyll a fluorescence. Extended light exposure of steady-state light curves resulted in higher quantum yields of photosystem II. The brown band tissue exhibited higher photosynthetically active radiation absorptivity, indicating more efficient light absorption due to a higher density of zooxanthellae in the ciliate-dominated zone. This caused relatively higher gross photosynthesis rates in the zone with zooxanthella-containing ciliates compared to healthy coral tissue. The observation of photosynthetically active intracellular zooxanthellae in the ciliates suggests that the latter can benefit from photosynthates produced by ingested zooxanthellae and from photosynthetic oxygen production that alleviates diffusion limitation of oxic respiration in the densely populated brown band tissue. It remains to be shown whether the zooxanthellae form a stable symbiotic association with the ciliate or are engulfed incidentally during grazing on coral tissue and then maintained as active inside the ciliate for a period before being digested and replaced by new zooxanthellae.

Zooxanthellae Harvested by Ciliates Associated with Brown Band Syndrome of Corals Remain Photosynthetically Competent▿

PubMed Central

Ulstrup, Karin E.; Kühl, Michael; Bourne, David G.

2007-01-01

Brown band syndrome is a new coral affliction characterized by a local accumulation of yet-unidentified ciliates migrating as a band along the branches of coral colonies. In the current study, morphologically intact zooxanthellae (= Symbiodinium) were observed in great numbers inside the ciliates (>50 dinoflagellates per ciliate). Microscale oxygen measurements and variable chlorophyll a fluorescence analysis along with microscopic observations demonstrated that zooxanthellae within the ciliates are photosynthetically competent and do not become compromised during the progression of the brown band zone. Zooxanthellae showed similar trends in light acclimation in a comparison of rapid light curve and steady-state light curve measures of variable chlorophyll a fluorescence. Extended light exposure of steady-state light curves resulted in higher quantum yields of photosystem II. The brown band tissue exhibited higher photosynthetically active radiation absorptivity, indicating more efficient light absorption due to a higher density of zooxanthellae in the ciliate-dominated zone. This caused relatively higher gross photosynthesis rates in the zone with zooxanthella-containing ciliates compared to healthy coral tissue. The observation of photosynthetically active intracellular zooxanthellae in the ciliates suggests that the latter can benefit from photosynthates produced by ingested zooxanthellae and from photosynthetic oxygen production that alleviates diffusion limitation of oxic respiration in the densely populated brown band tissue. It remains to be shown whether the zooxanthellae form a stable symbiotic association with the ciliate or are engulfed incidentally during grazing on coral tissue and then maintained as active inside the ciliate for a period before being digested and replaced by new zooxanthellae. PMID:17259357

Time Resolved Spectroscopic Studies on a Novel Synthesized Photo-Switchable Organic Dyad and Its Nanocomposite Form in Order to Develop Light Energy Conversion Devices.

PubMed

Dutta Pal, Gopa; Paul, Abhijit; Yadav, Somnath; Bardhan, Munmun; De, Asish; Chowdhury, Joydeep; Jana, Aindrila; Ganguly, Tapan

2015-08-01

UV-vis absorption, steady state and time resolved spectroscopic investigations in pico and nanosecond time domain were made in the different environments on a novel synthesized dyad, 3-(2-methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (MNTMA) in its pristine form and when combined with gold (Au) nanoparticles i.e., in its nanocomposite structure. Both steady state and time resolved measurements coupled with the DFT calculations performed by using Gaussian 03 suit of software operated in the linux operating system show that though the dyad exhibits mainly the folded conformation in the ground state but on photoexcitation the nanocomposite form of dyad prefers to be in elongated structure in the excited state indicating its photoswitchable nature. Due to the predominancy of elongated isomeric form of the dyad in the excited state in presence of Au Nps, it appears that the dyad MNTMA may behave as a good light energy converter specially in its nanocomposite form. As larger charge separation rate (kcs ~ 4 x 10(8) s-1) is found relative to the rate associated with the energy wasting charge recombination processes (kcR ~ 3 x 10(5) s-1) in the nanocomposite form of the dyad, it demonstrates the suitability of constructing the efficient light energy conversion devices with Au-dyad hybrid nanomaterials.

An investigation of the sound field above the audience in large lecture halls with a scale model.

PubMed

Kahn, D W; Tichy, J

1986-09-01

Measurements of steady-state sound pressure levels above the audience in large lecture halls show that the classical equation for predicting the sound pressure level is not accurate. The direct field above the seats was measured on a 1:10 scale model and was found to be dependent on the incidence angle and direction of sound propagation across the audience. The reverberant field above the seats in the model was calculated by subtracting the direct field from the measured total field and was found to be dependent on the magnitude and particularly on the placement of absorption. The decrease of sound pressure level versus distance in the total field depends on the angle (controlled by absorption placement) at which the strong reflections are incident upon the audience area. Sound pressure level decreases at a fairly constant rate with distance from the sound source in both the direct and reverberant field, and the decrease rate depends strongly on the absorption placement. The lowest rate of decay occurs when the side walls are absorptive, and both the ceiling and rear wall are reflective. These consequences are discussed with respect to prediction of speech intelligibility.

Mimicking Nonequilibrium Steady States with Time-Periodic Driving (Open Source)

DTIC Science & Technology

2016-05-18

nonequilibrium steady states, and vice versa, within the theoretical framework of discrete-state stochastic thermodynamics . Nonequilibrium steady states...equilibrium [2], spontaneous relaxation towards equilibrium [3], nonequilibrium steady states generated by fixed thermodynamic forces [4], and stochastic pumps...paradigm, a system driven by fixed thermodynamic forces—such as temperature gradients or chemical potential differences— reaches a steady state in

Impact of metal ions in porphyrin-based applied materials for visible-light photocatalysis: key information from ultrafast electronic spectroscopy.

PubMed

Kar, Prasenjit; Sardar, Samim; Alarousu, Erkki; Sun, Jingya; Seddigi, Zaki S; Ahmed, Saleh A; Danish, Ekram Y; Mohammed, Omar F; Pal, Samir Kumar

2014-08-11

Protoporphyrin IX-zinc oxide (PP-ZnO) nanohybrids have been synthesized for applications in photocatalytic devices. High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and steady-state infrared, absorption, and emission spectroscopies have been used to analyze the structural details and optical properties of these nanohybrids. Time-resolved fluorescence and transient absorption techniques have been applied to study the ultrafast dynamic events that are key to photocatalytic activities. The photocatalytic efficiency under visible-light irradiation in the presence of naturally abundant iron(III) and copper(II) ions has been found to be significantly retarded in the former case, but enhanced in the latter case. More importantly, femtosecond (fs) transient absorption data have clearly demonstrated that the residence of photoexcited electrons from the sensitizer PP in the centrally located iron moiety hinders ground-state bleach recovery of the sensitizer, affecting the overall photocatalytic rate of the nanohybrid. The presence of copper(II) ions, on the other hand, offers additional stability against photobleaching and eventually enhances the efficiency of photocatalysis. In addition, we have also explored the role of UV light in the efficiency of photocatalysis and have rationalized our observations from femtosecond- to picosecond-resolved studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlating the chemical and spectroscopic characteristics of natural organic matter with the photodegradation of sulfamerazine.

PubMed

Batista, Ana Paula S; Teixeira, Antonio Carlos S C; Cooper, William J; Cottrell, Barbara A

2016-04-15

The role of aquatic natural organic matter (NOM) in the removal of contaminants of emerging concern has been widely studied. Sulfamerazine (SMR), a sulfonamide antibiotic detected in aquatic environments, is implicated in environmental toxicity and may contribute to the resistance of bacteria to antibiotics. In aquatic systems sulfonamides may undergo direct photodegradation, and, indirect photodegradation through the generation of reactive species. Because some forms of NOM inhibit the photodegradation there is an increasing interest in correlating the spectroscopic parameters of NOM as potential indicators of its degradation in natural waters. Under the conditions used in this study, SMR hydrolysis was shown to be negligible; however, direct photolysis is a significant in most of the solutions studied. Photodegradation was investigated using standard solutions of NOM: Suwannee River natural organic matter (SRNOM), Suwannee River humic acid (SRHA), Suwannee River fulvic acid (SRFA), and Aldrich humic acid (AHA). The steady-state concentrations and formation rates of the reactive species and the SMR degradation rate constants (k1) were correlated with NOM spectroscopic parameters determined using UV-vis absorption, excitation-emission matrix (EEM) fluorescence spectroscopy, and proton nuclear magnetic resonance ((1)H NMR). SMR degradation rate constants (k1) were correlated with steady-state concentrations of NOM triplet-excited state ([(3)NOM(∗)]ss) and the corresponding formation rates ((3)NOM*) for SRNOM, SRHA, and AHA. The efficiency of SMR degradation was highest in AHA solution and was inhibited in solutions of SRFA. The steady-state concentrations of singlet oxygen ([(1)O2]ss) and the SMR degradation rate constants with singlet oxygen (k1O2) were linearly correlated with the total fluorescence and inversely correlated with the carbohydrate/protein content ((1)H NMR) for all forms of NOM. The total fluorescence and EEMs Peak A were confirmed as indicators of (1)O2 formation. Specific ultraviolet absorbance at 254 nm (SUVA254) and aromaticity showed potential correlations with the steady-state concentrations of hydroxyl radical ([HO]ss) and the corresponding formation rates (HO). Copyright © 2015 Elsevier Ltd. All rights reserved.

Predicting residential exposure to phthalate plasticizer emitted from vinyl flooring: a mechanistic analysis.

PubMed

Xu, Ying; Hubal, Elaine A Cohen; Clausen, Per A; Little, John C

2009-04-01

A two-room model is developed to estimate the emission rate of di-2-ethylhexyl phthalate (DEHP) from vinyl flooring and the evolving gas-phase and adsorbed surface concentrations in a realistic indoor environment. Because the DEHP emission rate measured in a test chamber may be quite different from the emission rate from the same material in the indoor environment the model provides a convenient means to predict emissions and transport in a more realistic setting. Adsorption isotherms for phthalates and plasticizers on interior surfaces, such as carpet, wood, dust, and human skin, are derived from previous field and laboratory studies. Log-linear relationships between equilibrium parameters and chemical vapor pressure are obtained. The predicted indoor air DEHP concentration at steady state is 0.15 microg/m3. Room 1 reaches steady state within about one year, while the adjacent room reaches steady state about three months later. Ventilation rate has a strong influence on DEHP emission rate while total suspended particle concentration has a substantial impact on gas-phase concentration. Exposure to DEHP via inhalation, dermal absorption, and oral ingestion of dust is evaluated. The model clarifies the mechanisms that govern the release of DEHP from vinyl flooring and the subsequent interactions with interior surfaces, airborne particles, dust, and human skin. Although further model development, parameter identification, and model validation are needed, our preliminary model provides a mechanistic framework that elucidates exposure pathways for phthalate plasticizers, and can most likely be adapted to predict emissions and transport of other semivolatile organic compounds, such as brominated flame retardants and biocides, in a residential environment.

Thermal shock induced oxidation of beryllium

NASA Astrophysics Data System (ADS)

Spilker, B.; Linke, J.; Pintsuk, G.; Wirtz, M.

2017-12-01

Beryllium has been chosen as a plasma facing material for the first wall of the experimental fusion reactor ITER, mainly because of its low atomic number and oxygen getter capabilities, which are favorable for a high plasma performance. While the steady state operational temperature of 250 °C has no deteriorating effect on the beryllium surface, transient plasma events can deposit power densities of up to 1 GW m-2 on the beryllium armor tiles. Previous research has shown that the oxidation of beryllium can occur under these thermal shock events. In the present study, S-65 grade beryllium specimens were exposed to 100 thermal shocks with an absorbed power density of 0.6 GW m-2 and a pulse duration of 1 ms, leading to a peak surface temperature of ˜800 °C. The induced surface morphology changes were compared to a steady state heated specimen at the same surface temperature with a holding time of 150 s. As a result, a pitting structure with an average pit diameter of ˜0.45 μm was observed on the thermal shock loaded surface, which was caused by beryllium oxide grain nucleation and subsequent erosion of the weakly bound beryllium oxide particles. In contrast, the steady state heated surface exhibited a more homogeneous beryllium oxide layer featuring small pits with diameters of tens of nm and showed the beryllium oxide grain nucleation in a beginning stage. The experiment demonstrated that thermal shock loading conditions can significantly accelerate the beryllium oxide grain nucleation. The resulting surface morphology change can potentially alter the fusion application relevant erosion, absorption, and retention characteristics of beryllium.

Synthesis and Photophysical Characterization of an Artificial Photosynthetic Reaction Center Exhibiting Acid-Responsive Regulation of Charge Separation

NASA Astrophysics Data System (ADS)

Pahk, Ian

Non-photochemical quenching (NPQ) is a photoprotective regulatory mechanism essential to the robustness of the photosynthetic apparatus of green plants. Energy flow within the low-light adapted reaction centers is dynamically optimized to match the continuously fluctuating light conditions found in nature. Activated by compartmentalized decreases in pH resulting from photosynthetic activity during periods of elevated photon flux, NPQ induces rapid thermal dissipation of excess excitation energy that would otherwise overwhelm the apparatus's ability to consume it. Consequently, the frequency of charge separation decreases and the formation of potentially deleterious, high-energy intermediates slows, thereby reducing the threat of photodamage by disallowing their accumulation. Herein is described the synthesis and photophysical analysis of a molecular triad that mimics the effects of NPQ on charge separation within the photosynthetic reaction centers. Steady-state absorption and emission, time-resolved fluorescence, and transient absorption spectroscopies were used to demonstrate reversible quenching of the first singlet excited state affecting the quantum yield of charge separation by approximately one order of magnitude. As in the natural system, the populations of unquenched and quenched states and, therefore, the overall yields of charge separation were found to be dependent upon acid concentration.

Pseudo Steady-State Free Precession for MR-Fingerprinting.

PubMed

Assländer, Jakob; Glaser, Steffen J; Hennig, Jürgen

2017-03-01

This article discusses the signal behavior in the case the flip angle in steady-state free precession sequences is continuously varied as suggested for MR-fingerprinting sequences. Flip angle variations prevent the establishment of a steady state and introduce instabilities regarding to magnetic field inhomogeneities and intravoxel dephasing. We show how a pseudo steady state can be achieved, which restores the spin echo nature of steady-state free precession. Based on geometrical considerations, relationships between the flip angle, repetition and echo time are derived that suffice to the establishment of a pseudo steady state. The theory is tested with Bloch simulations as well as phantom and in vivo experiments. A typical steady-state free precession passband can be restored with the proposed conditions. The stability of the pseudo steady state is demonstrated by comparing the evolution of the signal of a single isochromat to one resulting from a spin ensemble. As confirmed by experiments, magnetization in a pseudo steady state can be described with fewer degrees of freedom compared to the original fingerprinting and the pseudo steady state results in more reliable parameter maps. The proposed conditions restore the spin-echo-like signal behavior typical for steady-state free precession in fingerprinting sequences, making this approach more robust to B 0 variations. Magn Reson Med 77:1151-1161, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Mechanism for multiplicity of steady states with distinct cell concentration in continuous culture of mammalian cells.

PubMed

Yongky, Andrew; Lee, Jongchan; Le, Tung; Mulukutla, Bhanu Chandra; Daoutidis, Prodromos; Hu, Wei-Shou

2015-07-01

Continuous culture for the production of biopharmaceutical proteins offers the possibility of steady state operations and thus more consistent product quality and increased productivity. Under some conditions, multiplicity of steady states has been observed in continuous cultures of mammalian cells, wherein with the same dilution rate and feed nutrient composition, steady states with very different cell and product concentrations may be reached. At those different steady states, cells may exhibit a high glycolysis flux with high lactate production and low cell concentration, or a low glycolysis flux with low lactate and high cell concentration. These different steady states, with different cell concentration, also have different productivity. Developing a mechanistic understanding of the occurrence of steady state multiplicity and devising a strategy to steer the culture toward the desired steady state is critical. We establish a multi-scale kinetic model that integrates a mechanistic intracellular metabolic model and cell growth model in a continuous bioreactor. We show that steady state multiplicity exists in a range of dilution rate in continuous culture as a result of the bistable behavior in glycolysis. The insights from the model were used to devise strategies to guide the culture to the desired steady state in the multiple steady state region. The model provides a guideline principle in the design of continuous culture processes of mammalian cells. © 2015 Wiley Periodicals, Inc.

In-situ laser-induced synthesis of associated YVO4:Eu3+@SiO2@Au-Ag/C nanohybrids with enhanced luminescence

NASA Astrophysics Data System (ADS)

Kolesnikov, I. E.; lvanova, T. Yu.; Ivanov, D. A.; Kireev, A. A.; Mamonova, D. V.; Golyeva, E. V.; Mikhailov, M. D.; Manshina, A. A.

2018-02-01

Associated luminescence/plasmonic nanoparticles were prepared in a single step process as a result of laser illumination (low intensity CW He-Cd laser) of colloidal solution of YVO4:Eu3+@SiO2 mixed with heterometallic supramolecular complex. The results of SEM-EDX analysis, absorption, steady-state luminescence and luminescence decay measurements revealed formation of associated nanohybrids with core/shell morphology. The obtained nanostructures demonstrated metal enhanced luminescence with enhancement factor of 1.6. The theoretical calculations revealed strong correlation of enhancement factor and plasmonic nanoparticles number.

NLTE steady-state response matrix method.

NASA Astrophysics Data System (ADS)

Faussurier, G.; More, R. M.

2000-05-01

A connection between atomic kinetics and non-equilibrium thermodynamics has been recently established by using a collisional-radiative model modified to include line absorption. The calculated net emission can be expressed as a non-local thermodynamic equilibrium (NLTE) symmetric response matrix. In the paper, this connection is extended to both cases of the average-atom model and the Busquet's model (RAdiative-Dependent IOnization Model, RADIOM). The main properties of the response matrix still remain valid. The RADIOM source function found in the literature leads to a diagonal response matrix, stressing the absence of any frequency redistribution among the frequency groups at this order of calculation.

Bistability By Self-Reflection In A Saturable Absorber

NASA Astrophysics Data System (ADS)

Roso-Franco, Luis

1987-01-01

Propagation of laser light through a saturable absorber is theoretically studied. Computed steady state solutions of the Maxwell equations describing the unidimensional propagation of a plane monochromatic wave without introducing the slowly-varying envelope approximation are presented showing how saturation effects can influence the absorption of the field. At a certain range of refractive index and extintion coefficients, computed solutions display a very susprising behaviour, and a self-reflected wave appears inside the absorber. This can be useful for a new kind of biestable device, similar to a standard bistable cavity but with the back mirror self-induced by the light.

Photoinduced electron transfer (PET) versus excimer formation in supramolecular p/n-heterojunctions of perylene bisimide dyes and implications for organic photovoltaics.

PubMed

Nowak-Król, Agnieszka; Fimmel, Benjamin; Son, Minjung; Kim, Dongho; Würthner, Frank

2015-01-01

Foldamer systems comprised of two perylene bisimide (PBI) dyes attached to the conjugated backbones of 1,2-bis(phenylethynyl)benzene and phenylethynyl-bis(phenylene)indane, respectively, were synthesized and investigated with regard to their solvent-dependent properties. UV/Vis absorption and steady-state fluorescence spectra show that both foldamers exist predominantly in a folded H-aggregated state consisting of π-π-stacked PBIs in THF and in more random conformations with weaker excitonic coupling between the PBIs in chloroform. Time-resolved fluorescence spectroscopy and transient absorption spectroscopy reveal entirely different relaxation pathways for the photoexcited molecules in the given solvents, i.e. photoinduced electron transfer leading to charge separated states for the open conformations (in chloroform) and relaxation into excimer states with red-shifted emission for the stacked conformations (in THF). Supported by redox data from cyclic voltammetry and Rehm-Weller analysis we could relate the processes occurring in these solution-phase model systems to the elementary processes in organic solar cells. Accordingly, only if relaxation pathways such as excimer formation are strictly avoided in molecular semiconductor materials, excitons may diffuse over larger distances to the heterojunction interface and produce photocurrent via the formation of electron/hole pairs by photoinduced electron transfer.

Sharp Transition from Nonmetallic Au246 to Metallic Au279 with Nascent Surface Plasmon Resonance.

PubMed

Higaki, Tatsuya; Zhou, Meng; Lambright, Kelly J; Kirschbaum, Kristin; Sfeir, Matthew Y; Jin, Rongchao

2018-05-02

The optical properties of metal nanoparticles have attracted wide interest. Recent progress in controlling nanoparticles with atomic precision (often called nanoclusters) provide new opportunities for investigating many fundamental questions, such as the transition from excitonic to plasmonic state, which is a central question in metal nanoparticle research because it provides insights into the origin of surface plasmon resonance (SPR) as well as the formation of metallic bond. However, this question still remains elusive because of the extreme difficulty in preparing atomically precise nanoparticles larger than 2 nm. Here we report the synthesis and optical properties of an atomically precise Au 279 (SR) 84 nanocluster. Femtosecond transient absorption spectroscopic analysis reveals that the Au 279 nanocluster shows a laser power dependence in its excited state lifetime, indicating metallic state of the particle, in contrast with the nonmetallic electronic structure of the Au 246 (SR) 80 nanocluster. Steady-state absorption spectra reveal that the nascent plasmon band of Au 279 at 506 nm shows no peak shift even down to 60 K, consistent with plasmon behavior. The sharp transition from nonmetallic Au 246 to metallic Au 279 is surprising and will stimulate future theoretical work on the transition and many other relevant issues.

Synthesis and spectral properties of Methyl-Phenyl pyrazoloquinoxaline fluorescence emitters: Experiment and DFT/TDDFT calculations

NASA Astrophysics Data System (ADS)

Gąsiorski, P.; Matusiewicz, M.; Gondek, E.; Uchacz, T.; Wojtasik, K.; Danel, A.; Shchur, Ya.; Kityk, A. V.

2018-01-01

Paper reports the synthesis and spectroscopic studies of two novel 1-Methyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline (PQX) derivatives with 6-substituted methyl (MeMPPQX) or methoxy (MeOMPPQX) side groups. The optical absorption and fluorescence emission spectra are recorded in solvents of different polarity. Steady state and time-resolved spectroscopy provide photophysical characterization of MeMPPQX and MeOMPPQX dyes as materials for potential luminescence or electroluminescence applications. Measured optical absorption and fluorescence emission spectra are compared with quantum-chemical DFT/TDDFT calculations using long-range corrected xc-functionals, LRC-BLYP and CAM-B3LYP in combination with self-consistent reaction field model based on linear response (LR), state specific (SS) or corrected linear response (CLR) solvations. Performances of relevant theoretical models and approaches are compared. The reparameterized LRC-BLYP functional (ω = 0.231 Bohr-1) in combination with CLR solvation provides most accurate prediction of both excitation and emission energies. The MeMPPQX and MeOMPPQX dyes represent efficient fluorescence emitters in blue-green region of the visible spectra.

The gut in iron homeostasis: role of HIF-2 under normal and pathological conditions

PubMed Central

Mastrogiannaki, Maria; Matak, Pavle

2013-01-01

Although earlier, seminal studies demonstrated that the gut per se has the intrinsic ability to regulate the rates of iron absorption, the spotlight in the past decade has been placed on the systemic regulation of iron homeostasis by the hepatic hormone hepcidin and the molecular mechanisms that regulate its expression. Recently, however, attention has returned to the gut based on the finding that hypoxia inducible factor-2 (HIF-2α) regulates the expression of key genes that contribute to iron absorption. Here we review the current understanding of the molecular mechanisms that regulate iron homeostasis in the gut by focusing on the role of HIF-2 under physiological steady-state conditions and in the pathogenesis of iron-related diseases. We also discuss implications for adapting HIF-2–based therapeutic strategies in iron-related pathological conditions. PMID:23678007

Aggregation behaviour and electron injection/recombination dynamics of symmetrical and unsymmetrical Zn-phthalocyanines on TiO2 film.

PubMed

Ashokkumar, R; Kathiravan, A; Ramamurthy, P

2014-01-21

We have synthesized symmetrical and unsymmetrical Zn-phthalocyanine derivatives (PZnPc, MPZnPc and TPZnPc) for dye sensitized solar cells (DSSCs). Steady state and time-resolved absorption and fluorescence studies were performed in DMF solvent and on a TiO2 surface. The mode and extent of aggregation (H- and J-aggregates) of ZnPc adsorbed on a TiO2 surface were demonstrated. MPZnPc shows both H- and J-aggregation, while TPZnPc shows only H-aggregation. Moreover, the fluorescence of ZnP/TiO2 was completely quenched and this was assigned to electron injection from excited ZnPc to TiO2. Energy level calculations show both ZnPc deriviatives have enough driving force to inject electrons into the conduction band of TiO2. Furthermore, the radical cation of ZnPc was observed in nanosecond transient absorption measurements.

An instrumentation project for measuring weak and broadband ultrafast laser signals

NASA Astrophysics Data System (ADS)

Ellis, Armin T.

From our everyday experiences, we know that as light travels through a medium it attenuates due to absorption and scattering. Absorption is the cause of color in tea or grape juice, and it is described by Beer's law. Scattering is the reason why scuba divers have a limited range of vision and why mountain peaks become harder to see the further away they are. Precursors, although not fully understood, are transient light transmission effects and have been shown to exhibit lower attenuation through media than that predicted by Beer's law for steady-state light. In this thesis we present an instrumentation based approach for studying precursors by measuring spectral evolution and pure attenuation over distance. We will also introduce a new instrument concept, RotaryFROG, capable of simultaneous measurement of intensity, phase, and polarization versus frequency of low-intensity broadband pulses for use with ultrafast lasers.

Absorption of Iron from Ferritin Is Independent of Heme Iron and Ferrous Salts in Women and Rat Intestinal Segments123

PubMed Central

Chen, Huijun; Miranda, Constanza; Janser, Heinz; Elsenhans, Bernd; Núñez, Marco T.; Pizarro, Fernando; Schümann, Klaus

2012-01-01

Ferritin iron from food is readily bioavailable to humans and has the potential for treating iron deficiency. Whether ferritin iron absorption is mechanistically different from iron absorption from small iron complexes/salts remains controversial. Here, we studied iron absorption (RBC 59Fe) from radiolabeled ferritin iron (0.5 mg) in healthy women with or without non-ferritin iron competitors, ferrous sulfate, or hemoglobin. A 9-fold excess of non-ferritin iron competitor had no significant effect on ferritin iron absorption. Larger amounts of iron (50 mg and a 99-fold excess of either competitor) inhibited iron absorption. To measure transport rates of iron that was absorbed inside ferritin, rat intestinal segments ex vivo were perfused with radiolabeled ferritin and compared to perfusion with ferric nitrilotriacetic (Fe-NTA), a well-studied form of chelated iron. Intestinal transport of iron absorbed inside exogenous ferritin was 14.8% of the rate measured for iron absorbed from chelated iron. In the steady state, endogenous enterocyte ferritin contained >90% of the iron absorbed from Fe-NTA or ferritin. We found that ferritin is a slow release source of iron, readily available to humans or animals, based on RBC iron incorporation. Ferritin iron is absorbed by a different mechanism than iron salts/chelates or heme iron. Recognition of a second, nonheme iron absorption process, ferritin endocytosis, emphasizes the need for more mechanistic studies on ferritin iron absorption and highlights the potential of ferritin present in foods such as legumes to contribute to solutions for global iron deficiency. PMID:22259191

Effects of velocity-changing collisions on two-photon and stepwise-absorption spectroscopic line shapes

NASA Astrophysics Data System (ADS)

Liao, P. F.; Bjorkholm, J. E.; Berman, P. R.

1980-06-01

We report the results of an experimental study of the effects of velocity-changing collisions on two-photon and stepwise-absorption line shapes. Excitation spectra for the 3S12-->3P12-->4D12 transitions of sodium atoms undergoing collisions with foreign gas perturbers are obtained. These spectra are obtained with two cw dye lasers. One laser, the pump laser, is tuned 1.6 GHz below the 3S12-->3P12 transition frequency and excites a nonthermal longitudinal velocity distribution of excited 3P12 atoms in the vapor. Absorption of the second (probe) laser is used to monitor the steady-state excited-state distribution which is a result of collisions with rare gas atoms. The spectra are obtained for various pressures of He, Ne, and Kr gases and are fit to a theoretical model which utilizes either the phenomenological Keilson-Störer or the classical hardsphere collision kernel. The theoretical model includes the effects of collisionally aided excitation of the 3P12 state as well as effects due to fine-structure state-changing collisions. Although both kernels are found to predict line shapes which are in reasonable agreement with the experimental results, the hard-sphere kernel is found superior as it gives a better description of the effects of large-angle scattering for heavy perturbers. Neither kernel provides a fully adequate description over the entire line profile. The experimental data is used to extract effective hard-sphere collision cross sections for collisions between sodium 3P12 atoms and helium, neon, and krypton perturbers.

Bodipy-C60 triple hydrogen bonding assemblies as heavy atom-free triplet photosensitizers: preparation and study of the singlet/triplet energy transfer.

PubMed

Guo, Song; Xu, Liang; Xu, Kejing; Zhao, Jianzhang; Küçüköz, Betül; Karatay, Ahmet; Yaglioglu, Halime Gul; Hayvali, Mustafa; Elmali, Ayhan

2015-07-01

Supramolecular triplet photosensitizers based on hydrogen bonding-mediated molecular assemblies were prepared. Three thymine-containing visible light-harvesting Bodipy derivatives ( B-1 , B-2 and B-3 , which show absorption at 505 nm, 630 nm and 593 nm, respectively) were used as H-bonding modules, and 1,6-diaminopyridine-appended C 60 was used as the complementary hydrogen bonding module ( C-1 ), in which the C 60 part acts as a spin converter for triplet formation. Visible light-harvesting antennae with methylated thymine were prepared as references ( B-1-Me , B-2-Me and B-3-Me ), which are unable to form strong H-bonds with C-1 . Triple H-bonds are formed between each Bodipy antenna ( B-1 , B-2 and B-3 ) and the C 60 module ( C-1 ). The photophysical properties of the H-bonding assemblies and the reference non-hydrogen bond-forming mixtures were studied using steady state UV/vis absorption spectroscopy, fluorescence emission spectroscopy, electrochemical characterization, and nanosecond transient absorption spectroscopy. Singlet energy transfer from the Bodipy antenna to the C 60 module was confirmed by fluorescence quenching studies. The intersystem crossing of the latter produced the triplet excited state. The nanosecond transient absorption spectroscopy showed that the triplet state is either localized on the C 60 module (for assembly B-1·C-1 ), or on the styryl-Bodipy antenna (for assemblies B-2·C-1 and B-3·C-1 ). Intra-assembly forward-backward (ping-pong) singlet/triplet energy transfer was proposed. In contrast to the H-bonding assemblies, slow triplet energy transfer was observed for the non-hydrogen bonding mixtures. As a proof of concept, these supramolecular assemblies were used as triplet photosensitizers for triplet-triplet annihilation upconversion.

Effect of solvent hydrogen bonding on the photophysical properties of intramolecular charge transfer probe trans-ethyl p-(dimethylamino) cinamate and its derivative

NASA Astrophysics Data System (ADS)

Singh, T. Sanjoy; Moyon, N. S.; Mitra, Sivaprasad

2009-08-01

Intramolecular charge transfer (ICT) behavior of trans-ethyl p-(dimethylamino) cinamate (EDAC) and 4-(dimethylamino) cinnamic acid (DMACA) were studied by steady state absorption and emission, picosecond time-resolved fluorescence experiments in various pure and mixed solvent systems. The large fluorescence spectral shift in more polar solvents indicates an efficient charge transfer from the donor site to the acceptor moiety in the excited state compared to the ground state. The energy for 0,0 transition ( ν0,0) for EDAC shows very good linear correlation with static solvent dielectric property; however, fluorescence emission maximum, stokes shift and fluorescence quantum yield show significant deviation from linearity in polar protic solvents, indicating a large contribution of solvent hydrogen bonding on the excited state relaxation mechanism. A quantitative estimation of contribution from different solvatochromic parameters was made using linear free energy relationship based on Kamlet-Taft equation.

The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states

NASA Astrophysics Data System (ADS)

Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.

2008-09-01

The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.

Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance

DOE PAGES

Hayes, Dugan; Hadt, Ryan G.; Emery, Jonathan D.; ...

2016-11-02

Ultrafast time-resolved studies of photocatalytic thin films can provide a wealth of information crucial for understanding and thereby improving the performance of these materials by directly probing electronic structure, reaction intermediates, and charge carrier dynamics. The interpretation of transient spectra, however, can be complicated by thermally induced structural distortions, which appear within the first few picoseconds following excitation due to carrier–phonon scattering. Here we present a comparison of ex situ steady-state thermal difference spectra and transient absorption spectra spanning from NIR to hard X-ray energies of hematite thin films grown by atomic layer deposition. We find that beyond the firstmore » 100 picoseconds, the transient spectra measured for all excitation wavelengths and probe energies are almost entirely due to thermal effects as the lattice expands in response to the ultrafast temperature jump and then cools to room temperature on the microsecond timescale. At earlier times, a broad excited state absorption band that is assigned to free carriers appears at 675 nm, and the lifetime and shape of this feature also appear to be mostly independent of excitation wavelength. The combined spectroscopic data, which are modeled with density functional theory and full multiple scattering calculations, support an assignment of the optical absorption spectrum of hematite that involves two LMCT bands that nearly span the visible spectrum. Lastly, our results also suggest a framework for shifting the ligand-to-metal charge transfer absorption bands of ferric oxide films from the near-UV further into the visible part of the solar spectrum to improve solar conversion efficiency.« less

Bodipy–C60 triple hydrogen bonding assemblies as heavy atom-free triplet photosensitizers: preparation and study of the singlet/triplet energy transfer† †Electronic supplementary information (ESI) available: Syntheses, structure characterization data, and UV/vis absorption and emission spectra. See DOI: 10.1039/c4sc03865g

PubMed Central

Guo, Song; Xu, Liang; Xu, Kejing; Küçüköz, Betül; Karatay, Ahmet; Yaglioglu, Halime Gul; Hayvali, Mustafa; Elmali, Ayhan

2015-01-01

Supramolecular triplet photosensitizers based on hydrogen bonding-mediated molecular assemblies were prepared. Three thymine-containing visible light-harvesting Bodipy derivatives (B-1, B-2 and B-3, which show absorption at 505 nm, 630 nm and 593 nm, respectively) were used as H-bonding modules, and 1,6-diaminopyridine-appended C60 was used as the complementary hydrogen bonding module (C-1), in which the C60 part acts as a spin converter for triplet formation. Visible light-harvesting antennae with methylated thymine were prepared as references (B-1-Me, B-2-Me and B-3-Me), which are unable to form strong H-bonds with C-1. Triple H-bonds are formed between each Bodipy antenna (B-1, B-2 and B-3) and the C60 module (C-1). The photophysical properties of the H-bonding assemblies and the reference non-hydrogen bond-forming mixtures were studied using steady state UV/vis absorption spectroscopy, fluorescence emission spectroscopy, electrochemical characterization, and nanosecond transient absorption spectroscopy. Singlet energy transfer from the Bodipy antenna to the C60 module was confirmed by fluorescence quenching studies. The intersystem crossing of the latter produced the triplet excited state. The nanosecond transient absorption spectroscopy showed that the triplet state is either localized on the C60 module (for assembly B-1·C-1), or on the styryl-Bodipy antenna (for assemblies B-2·C-1 and B-3·C-1). Intra-assembly forward–backward (ping-pong) singlet/triplet energy transfer was proposed. In contrast to the H-bonding assemblies, slow triplet energy transfer was observed for the non-hydrogen bonding mixtures. As a proof of concept, these supramolecular assemblies were used as triplet photosensitizers for triplet–triplet annihilation upconversion. PMID:29218142

Quasi-steady state conditions in heterogeneous aquifers during pumping tests

NASA Astrophysics Data System (ADS)

Zha, Yuanyuan; Yeh, Tian-Chyi J.; Shi, Liangsheng; Huang, Shao-Yang; Wang, Wenke; Wen, Jet-Chau

2017-08-01

Classical Thiem's well hydraulic theory, other aquifer test analyses, and flow modeling efforts often assume the existence of ;quasi-steady; state conditions. That is, while drawdowns due to pumping continue to grow, the hydraulic gradient in the vicinity of the pumping well does not change significantly. These conditions have built upon two-dimensional and equivalent homogeneous conceptual models, but few field data have been available to affirm the existence of these conditions. Moreover, effects of heterogeneity and three-dimensional flow on this quasi-steady state concept have not been thoroughly investigated and discussed before. In this study, we first present a quantitative definition of quasi-steady state (or steady-shape conditions) and steady state conditions based on the analytical solution of two- or three-dimensional flow induced by pumping in unbounded, homogeneous aquifers. Afterward, we use a stochastic analysis to investigate the influence of heterogeneity on the quasi-steady state concept in heterogeneous aquifers. The results of the analysis indicate that the time to reach an approximate quasi-steady state in a heterogeneous aquifer could be quite different from that estimated based on a homogeneous model. We find that heterogeneity of aquifer properties, especially hydraulic conductivity, impedes the development of the quasi-steady state condition before the flow reaching steady state. Finally, 280 drawdown-time data from the hydraulic tomographic survey conducted at a field site corroborate our finding that the quasi-steady state condition likely would not take place in heterogeneous aquifers unless pumping tests last a long period. Research significance (1) Approximate quasi-steady and steady state conditions are defined for two- or three-dimensional flow induced by pumping in unbounded, equivalent homogeneous aquifers. (2) Analysis demonstrates effects of boundary condition, well screen interval, and heterogeneity of parameters on the existence of the quasi-steady, and validity of approximate quasi-steady concept. (3) Temporal evaluation of information content about heterogeneity in head observations are analyzed in heterogeneous aquifer. (4) 280 observed drawdown-time data corroborate the stochastic analysis that quasi-steady is difficult to reach in highly heterogeneous aquifers.

Light adaptation of the unicellular red alga, Cyanidioschyzon merolae, probed by time-resolved fluorescence spectroscopy.

PubMed

Ueno, Yoshifumi; Aikawa, Shimpei; Kondo, Akihiko; Akimoto, Seiji

2015-08-01

Photosynthetic organisms change the quantity and/or quality of their pigment-protein complexes and the interactions among these complexes in response to light conditions. In the present study, we analyzed light adaptation of the unicellular red alga Cyanidioschyzon merolae, whose pigment composition is similar to that of cyanobacteria because its phycobilisomes (PBS) lack phycoerythrin. C. merolae were grown under different light qualities, and their responses were measured by steady-state absorption, steady-state fluorescence, and picosecond time-resolved fluorescence spectroscopies. Cells were cultivated under four monochromatic light-emitting diodes (blue, green, yellow, and red), and changes in pigment composition and energy transfer were observed. Cells grown under blue and green light increased their relative phycocyanin levels compared with cells cultured under white light. Energy-transfer processes to photosystem I (PSI) were sensitive to yellow and red light. The contribution of direct energy transfer from PBS to PSI increased only under yellow light, while red light induced a reduction in energy transfer from photosystem II to PSI and an increase in energy transfer from light-harvesting chlorophyll protein complex I to PSI. Differences in pigment composition, growth, and energy transfer under different light qualities are discussed.

Thermal Conductivity of Ceramic Thermal Barrier and Environmental Barrier Coating Materials

NASA Technical Reports Server (NTRS)

Zhu, Dong-Ming; Bansal, Narottam P.; Lee, Kang N.; Miller, Robert A.

2001-01-01

Thermal barrier and environmental barrier coatings (TBC's and EBC's) have been developed to protect metallic and Si-based ceramic components in gas turbine engines from high temperature attack. Zirconia-yttria based oxides and (Ba,Sr)Al2Si2O8(BSAS)/mullite based silicates have been used as the coating materials. In this study, thermal conductivity values of zirconia-yttria- and BSAS/mullite-based coating materials were determined at high temperatures using a steady-state laser heat flux technique. During the laser conductivity test, the specimen surface was heated by delivering uniformly distributed heat flux from a high power laser. One-dimensional steady-state heating was achieved by using thin disk specimen configuration (25.4 mm diam and 2 to 4 mm thickness) and the appropriate backside air-cooling. The temperature gradient across the specimen thickness was carefully measured by two surface and backside pyrometers. The thermal conductivity values were thus determined as a function of temperature based on the 1-D heat transfer equation. The radiation heat loss and laser absorption corrections of the materials were considered in the conductivity measurements. The effects of specimen porosity and sintering on measured conductivity values were also evaluated.

Estimating systemic exposure to levonorgestrel from an oral contraceptive.

PubMed

Basaraba, Cale N; Westhoff, Carolyn L; Pike, Malcolm C; Nandakumar, Renu; Cremers, Serge

2017-04-01

The gold standard for measuring oral contraceptive (OC) pharmacokinetics is the 24-h steady-state area under the curve (AUC). We conducted this study to assess whether limited sampling at steady state or measurements following use of one or two OCs could provide an adequate proxy in epidemiological studies for the progestin 24-h steady-state AUC of a particular OC. We conducted a 13-sample, 24-h pharmacokinetic study on both day 1 and day 21 of the first cycle of a monophasic OC containing 30-mcg ethinyl estradiol and 150-mcg levonorgestrel (LNG) in 17 normal-weight healthy White women and a single-dose 9-sample study of the same OC after a 1-month washout. We compared the 13-sample steady-state results with several steady-state and single-dose results calculated using parsimonious sampling schemes. The 13-sample steady-state 24-h LNG AUC was highly correlated with the steady-state 24-h trough value [r=0.95; 95% confidence interval (0.85, 0.98)] and with the steady-state 6-, 8-, 12- and 16-h values (0.92≤r≤0.95). The trough values after one or two doses were moderately correlated with the steady-state 24-h AUC value [r=0.70; 95% CI (0.27, 0.90) and 0.77; 95% CI (0.40, 0.92), respectively]. Single time-point concentrations at steady state and after administration of one or two OCs gave highly to moderately correlated estimates of steady-state LNG AUC. Using such measures could facilitate prospective pharmaco-epidemiologic studies of the OC and its side effects. A single time-point LNG concentration at steady state is an excellent proxy for complete and resource-intensive steady-state AUC measurement. The trough level after two single doses is a fair proxy for steady-state AUC. These results provide practical tools to facilitate large studies to investigate the relationship between systemic LNG exposure and side effects in a real-life setting. Copyright © 2017 Elsevier Inc. All rights reserved.

GAMSOR: Gamma Source Preparation and DIF3D Flux Solution

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

Smith, M. A.; Lee, C. H.; Hill, R. N.

2016-12-15

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron absorption reactions or during the fission process which means the primary driver of energy production is of course the neutron interaction. In conventional reactor physics methods, the gamma heating component is ignored such that the gamma absorption is forced to occur at the gamma emission site. For experimental reactor systems like EBR-II and FFTF, the placement of structural pins and assemblies internal to the core leads to problemsmore » with power heating predictions because there is no fission power source internal to the assembly to dictate a spatial distribution of the power. As part of the EBR-II support work in the 1980s, the GAMSOR code was developed to assist analysts in calculating the gamma heating. The GAMSOR code is a modified version of DIF3D and actually functions within a sequence of DIF3D calculations. The gamma flux in a conventional fission reactor system does not perturb the neutron flux and thus the gamma flux calculation can be cast as a fixed source problem given a solution to the steady state neutron flux equation. This leads to a sequence of DIF3D calculations, called the GAMSOR sequence, which involves solving the neutron flux, then the gamma flux, then combining the results to do a summary edit. In this manuscript, we go over the GAMSOR code and detail how it is put together and functions. We also discuss how to setup the GAMSOR sequence and input for each DIF3D calculation in the GAMSOR sequence. With the GAMSOR capability, users can take any valid steady state DIF3D calculation and compute the power distribution due to neutron and gamma heating. The MC2-3 code is the preferable companion code to use for generating neutron and gamma cross section data, but the GAMSOR code can accept cross section data from other sources. To further this aspect, an additional utility code was created which demonstrates how to merge the neutron and gamma cross section data together to carry out a simultaneous solve of the two systems.« less

Enhancing emotional-based target prediction

NASA Astrophysics Data System (ADS)

Gosnell, Michael; Woodley, Robert

2008-04-01

This work extends existing agent-based target movement prediction to include key ideas of behavioral inertia, steady states, and catastrophic change from existing psychological, sociological, and mathematical work. Existing target prediction work inherently assumes a single steady state for target behavior, and attempts to classify behavior based on a single emotional state set. The enhanced, emotional-based target prediction maintains up to three distinct steady states, or typical behaviors, based on a target's operating conditions and observed behaviors. Each steady state has an associated behavioral inertia, similar to the standard deviation of behaviors within that state. The enhanced prediction framework also allows steady state transitions through catastrophic change and individual steady states could be used in an offline analysis with additional modeling efforts to better predict anticipated target reactions.

Steady- and non-steady-state carbonate-silicate controls on atmospheric CO2

USGS Publications Warehouse

Sundquist, E.T.

1991-01-01

Two contrasting hypotheses have recently been proposed for the past long-term relation between atmospheric CO2 and the carbonate-silicate geochemical cycle. One approach (Berner, 1990) suggests that CO2 levels have varied in a manner that has maintained chemical weathering and carbonate sedimentation at a steady state with respect to tectonically controlled decarbonation reactions. A second approach (Raymo et al., 1988), applied specificlly to the late Cenozoic, suggests a decrease in CO2 caused by an uplift-induced increase in chemical weathering, without regard to the rate of decarbonation. According to the steady-state (first) hypothesis, increased weathering and carbonate sedimentation are generally associated with increasing atmospheric CO2, whereas the uplift (second) hypothesis implies decreasing CO2 under the same conditions. An ocean-atmosphere-sediment model has been used to assess the response of atmospheric CO2 and carbonate sedimentation to global perturbations in chemical weathering and decarbonation reactions. Although this assessment is theoretical and cannot yet be related to the geologic record, the model simulations compare steady-state and non-steady-state carbonate-silicate cycle response. The e-fold response time of the 'CO2-weathering' feedback mechanism is between 300 and 400 ka. The response of carbonate sedimentation is much more rapid. These response times provide a measure of the strength of steady-state assumptions, and imply that certain systematic relations are sustained throughout steady-state and non-steady-state scenarios for the carbonate-silicate cycle. The simulations suggest that feedbacks can maintain the system near a steady state, but that non-steady-state effects may contribute to long-term trends. The steady-state and uplift hypotheses are not necessarily incompatible over time scales of a few million years. ?? 1991.

On Local Ionization Equilibrium and Disk Winds in QSOs

NASA Astrophysics Data System (ADS)

Pereyra, Nicolas A.

2014-11-01

We present theoretical C IV λλ1548,1550 absorption line profiles for QSOs calculated assuming the accretion disk wind (ADW) scenario. The results suggest that the multiple absorption troughs seen in many QSOs may be due to the discontinuities in the ion balance of the wind (caused by X-rays), rather than discontinuities in the density/velocity structure. The profiles are calculated from a 2.5-dimensional time-dependent hydrodynamic simulation of a line-driven disk wind for a typical QSO black hole mass, a typical QSO luminosity, and for a standard Shakura-Sunyaev disk. We include the effects of ionizing X-rays originating from within the inner disk radius by assuming that the wind is shielded from the X-rays from a certain viewing angle up to 90° ("edge on"). In the shielded region, we assume constant ionization equilibrium, and thus constant line-force parameters. In the non-shielded region, we assume that both the line-force and the C IV populations are nonexistent. The model can account for P-Cygni absorption troughs (produced at edge on viewing angles), multiple absorption troughs (produced at viewing angles close to the angle that separates the shielded region and the non-shielded region), and for detached absorption troughs (produced at an angle in between the first two absorption line types); that is, the model can account for the general types of broad absorption lines seen in QSOs as a viewing angle effect. The steady nature of ADWs, in turn, may account for the steady nature of the absorption structure observed in multiple-trough broad absorption line QSOs. The model parameters are M bh = 109 M ⊙ and L disk = 1047 erg s-1.

Comparative steady-state pharmacokinetic study of an extended-release formulation of itopride and its immediate-release reference formulation in healthy volunteers.

PubMed

Yoon, Seonghae; Lee, Howard; Kim, Tae-Eun; Lee, SeungHwan; Chee, Dong-Hyun; Cho, Joo-Youn; Yu, Kyung-Sang; Jang, In-Jin

2014-01-01

This study was conducted to compare the oral bioavailability of an itopride extended-release (ER) formulation with that of the reference immediate-release (IR) formulation in the fasting state. The effect of food on the bioavailability of itopride ER was also assessed. A single-center, open-label, randomized, multiple-dose, three-treatment, three-sequence, crossover study was performed in 24 healthy male subjects, aged 22-48 years, who randomly received one of the following treatments for 4 days in each period: itopride 150 mg ER once daily under fasting or fed conditions, or itopride 50 mg IR three times daily in the fasting state. Steady-state pharmacokinetic parameters of itopride, including peak plasma concentration (Cmax) and area under the plasma concentration versus time curve over 24 hours after dosing (AUC(0-24h)), were determined by noncompartmental analysis. The geometric mean ratio of the pharmacokinetic parameters was derived using an analysis of variance model. A total of 24 healthy Korean subjects participated, 23 of whom completed the study. The geometric mean ratio and its 90% confidence interval of once-daily ER itopride versus IR itopride three times a day for AUC(0-24h) were contained within the conventional bioequivalence range of 0.80-1.25 (0.94 [0.88-1.01]), although Cmax was reached more slowly and was lower for itopride ER than for the IR formulation. Food delayed the time taken to reach Cmax for itopride ER, but AUC(0-24h) was not affected. There were no serious adverse events and both formulations were generally well tolerated. At steady state, once-daily itopride ER at 150 mg has a bioavailability comparable with that of itopride IR at 50 mg given three times a day under fasting conditions. Food delayed the absorption of itopride ER, with no marked change in its oral bioavailability.

Comparative steady-state pharmacokinetic study of an extended-release formulation of itopride and its immediate-release reference formulation in healthy volunteers

PubMed Central

Yoon, Seonghae; Lee, Howard; Kim, Tae-Eun; Lee, SeungHwan; Chee, Dong-Hyun; Cho, Joo-Youn; Yu, Kyung-Sang; Jang, In-Jin

2014-01-01

Background This study was conducted to compare the oral bioavailability of an itopride extended-release (ER) formulation with that of the reference immediate-release (IR) formulation in the fasting state. The effect of food on the bioavailability of itopride ER was also assessed. Methods A single-center, open-label, randomized, multiple-dose, three-treatment, three-sequence, crossover study was performed in 24 healthy male subjects, aged 22–48 years, who randomly received one of the following treatments for 4 days in each period: itopride 150 mg ER once daily under fasting or fed conditions, or itopride 50 mg IR three times daily in the fasting state. Steady-state pharmacokinetic parameters of itopride, including peak plasma concentration (Cmax) and area under the plasma concentration versus time curve over 24 hours after dosing (AUC0–24h), were determined by noncompartmental analysis. The geometric mean ratio of the pharmacokinetic parameters was derived using an analysis of variance model. Results A total of 24 healthy Korean subjects participated, 23 of whom completed the study. The geometric mean ratio and its 90% confidence interval of once-daily ER itopride versus IR itopride three times a day for AUC0–24h were contained within the conventional bioequivalence range of 0.80–1.25 (0.94 [0.88–1.01]), although Cmax was reached more slowly and was lower for itopride ER than for the IR formulation. Food delayed the time taken to reach Cmax for itopride ER, but AUC0–24h was not affected. There were no serious adverse events and both formulations were generally well tolerated. Conclusion At steady state, once-daily itopride ER at 150 mg has a bioavailability comparable with that of itopride IR at 50 mg given three times a day under fasting conditions. Food delayed the absorption of itopride ER, with no marked change in its oral bioavailability. PMID:24470753

Azadioxatriangulenium: a long fluorescence lifetime fluorophore for large biomolecule binding assay

NASA Astrophysics Data System (ADS)

Just Sørensen, Thomas; Thyrhaug, Erling; Szabelski, Mariusz; Luchowski, Rafal; Gryczynski, Ignacy; Gryczynski, Zygmunt; Laursen, Bo W.

2013-06-01

Of the many optical bioassays available, sensing by fluorescence anisotropy has great advantages as it provides a sensitive, instrumentally simple, ratiometric method of detection. However, it is hampered by a severe limitation, as the emission lifetime of the label needs to be comparable to the correlation lifetime (tumbling time) of the biomolecule which is labelled. For proteins of moderate size this is on the order of 20-200 ns, which due to practical issues currently limits the choice of labels to the dansyl-type dyes and certain aromatic dyes. These have the significant drawback of UV/blue absorption and emission as well as an often significant solvent sensitivity. Here, we report the synthesis and characterization of a new fluorescent label for high molecular weight biomolecule assay based on the azadioxatriangulenium motif. The NHS ester of the long fluorescence lifetime, red-emitting fluorophore: azadioxatriangulenium (ADOTA-NHS) was conjugated to anti-rabbit Immunoglobulin G (antiIgG). The long fluorescence lifetime was exploited to determine the correlation time of the high molecular weight antibody and its complex with rabbit Immunoglobulin G (IgG) with steady-state fluorescence anisotropy and time-resolved methods: solution phase immuno-assay was performed following either steady-state or time-resolved fluorescence anisotropy. By performing a variable temperature experiment it was determined that the binding of the ligand resulted in an increase in correlation time of more than 75%, and an increase in the steady-state anisotropy of 18%. The results show that the triangulenium class of dyes can be used in anisotropy assay to detect binding events involving biomolecules of far larger size than what is possible with most other red-emitting organic dyes.

Steady-state pharmacokinetics of fluvastatin in healthy subjects following a new extended release fluvastatin tablet, Lescol XL.

PubMed

Barilla, Denise; Prasad, Pratapa; Hubert, Martine; Gumbhir-Shah, Kavita

2004-03-01

This was an open-label, randomized, three-period, three-treatment, multiple dose, crossover study in 12 healthy male and female subjects. This study evaluated single dose and steady-state pharmacokinetics of fluvastatin following single and multiple dose administrations of a new extended release fluvastatin 8 h matrix tablet, Lescol XL 80 mg and 160 mg doses once a day. The study also included a twice a day administration of an immediate release (IR) form of fluvastatin capsule, Lescol, for comparative purposes. All doses were administered for 7 days. The safety and tolerability were also assessed. The pharmacokinetics of fluvastatin were evaluated on days 1 and 7 following each treatment. Fluvastatin systemic exposure was 50% less when administered as Lescol XL 80 mg qd compared with Lescol IR 40 mg bid. Conversely, fluvastatin systemic exposure was 22% higher when administered as Lescol XL 160 mg qd compared with Lescol IR 40 mg bid. Single doses of Lescol XL 80 mg and 160 mg were dose proportional but, deviation (30%) from dose proportionality was observed for the Lescol XL 160 mg at steady-state. There appeared to be moderate (20%-40%) accumulation of serum fluvastatin maximal concentrations and exposure after multiple doses of Lescol XL tablets. Both Lescol XL 80 mg and 160 mg showed delayed absorption and longer apparent elimination half-life compared with fluvastatin IR capsule. Single and multiple doses of fluvastatin were generally well tolerated in this healthy volunteer population. Adverse event profiles were consistent with the published safety profile of the marketed formulations. Aside from one incidence of creatine phosphokinase (CPK) elevation (following Lescol XL 160 mg qd treatment), there were no safety concerns with any of the treatments when administered acutely (7 days). Copyright 2004 John Wiley & Sons, Ltd.

Estimating chlorophyll content and photochemical yield of photosystem II (ΦPSII) using solar-induced chlorophyll fluorescence measurements at different growing stages of attached leaves

PubMed Central

Tubuxin, Bayaer; Rahimzadeh-Bajgiran, Parinaz; Ginnan, Yusaku; Hosoi, Fumiki; Omasa, Kenji

2015-01-01

This paper illustrates the possibility of measuring chlorophyll (Chl) content and Chl fluorescence parameters by the solar-induced Chl fluorescence (SIF) method using the Fraunhofer line depth (FLD) principle, and compares the results with the standard measurement methods. A high-spectral resolution HR2000+ and an ordinary USB4000 spectrometer were used to measure leaf reflectance under solar and artificial light, respectively, to estimate Chl fluorescence. Using leaves of Capsicum annuum cv. ‘Sven’ (paprika), the relationships between the Chl content and the steady-state Chl fluorescence near oxygen absorption bands of O2B (686nm) and O2A (760nm), measured under artificial and solar light at different growing stages of leaves, were evaluated. The Chl fluorescence yields of ΦF 686nm/ΦF 760nm ratios obtained from both methods correlated well with the Chl content (steady-state solar light: R2 = 0.73; artificial light: R2 = 0.94). The SIF method was less accurate for Chl content estimation when Chl content was high. The steady-state solar-induced Chl fluorescence yield ratio correlated very well with the artificial-light-induced one (R2 = 0.84). A new methodology is then presented to estimate photochemical yield of photosystem II (ΦPSII) from the SIF measurements, which was verified against the standard Chl fluorescence measurement method (pulse-amplitude modulated method). The high coefficient of determination (R2 = 0.74) between the ΦPSII of the two methods shows that photosynthesis process parameters can be successfully estimated using the presented methodology. PMID:26071530

A Pharmacokinetic Study of an Ibuprofen Topical Patch in Healthy Male and Female Adult Volunteers.

PubMed

Lewis, Fraser; Connolly, Mark P; Bhatt, Aomesh

2018-01-11

The pharmacokinetics of a novel locally applied ibuprofen topical patch was evaluated. Healthy subjects (n = 28) were administered a 200-mg ibuprofen patch every 24 hours for 5 days, and steady-state pharmacokinetics was determined. The amount of ibuprofen remaining in the patch following each patch removal was also assessed. The maximum steady-state drug concentration and area under the concentration curve from time 0 on day 5 (t = 0) to the 24-hours sample on day 6 were 514 ng/mL (95% CI 439 to 603 ng/mL) and 9.78 kg·h/mL (95% CI 8.43 to 11.4 kg·h/mL), respectively. Maximum ibuprofen concentration on day 5 occurred at 20 hours post-patch application. No evidence of drug accumulation was observed, and steady state was achieved between days 2 and 5. Ibuprofen levels attenuated rapidly to baseline within 24 hours after treatment discontinuation. The amount of ibuprofen remaining in the patch was high (≥80%). Treatment-emergent adverse events were generally mild, with the most prevalent being headache (n = 6; 21.4%). Only 4 TEAEs were considered related to the ibuprofen patch: paresthesia (n = 1), headache (n = 2), and pruritic rash (n = 1). The study found that the systematic absorption of ibuprofen from a 200-mg patch was low and that the levels of ibuprofen leaving the patch over a 24-hour period are consistent with levels required for therapeutic relief as shown in other studies. © 2018, The American College of Clinical Pharmacology.

Effect of air velocity and direction for indirect evaporative cooling in tropical area

NASA Astrophysics Data System (ADS)

Ayodha Ajiwiguna, Tri; Nugraha Rismi, Fadhlin; Ramdlan Kirom, Mukhammad

2017-06-01

In this research, experimental study of heat absorption rate caused by indirect evaporative cooling is performed by varying the velocity and direction of air. The ambient is at average temperature and relative humidity of 28.7 °C and 78% respectively. The experiment is conducted by attaching wet medium on the top of material reference plate with the dimension of 14 x 8 cm with 5 mm thickness. To get evaporative cooling effect, the air flow is directed to the wet medium with velocity from 1.6 m/s to 3.4 m/s with the increment of 0.2 m/s. The direction of air is set 0° (parallel), 45° (inclined), and 90° (perpendicular) to the wet medium surface. While the experiment is being performed, the air temperature, top and bottom of plate temperature are measured simultaneously after steady state condition is established. Based on the measurement result, heat absorption is calculated by analysing the heat conduction on the material reference. The result shows that the heat absorption rate is increased by higher velocity. Perpendicular direction of air flow results the highest cooling capacity compared with other direction. The maximum heat absorption rate is achieved at 13.9 Watt with 3.4 m/s velocity and perpendicular direction of air.

Steady States, Fluctuation-Dissipation Theorems and Homogenization for Reversible Diffusions in a Random Environment

NASA Astrophysics Data System (ADS)

Mathieu, P.; Piatnitski, A.

2018-04-01

Prolongating our previous paper on the Einstein relation, we study the motion of a particle diffusing in a random reversible environment when subject to a small external forcing. In order to describe the long time behavior of the particle, we introduce the notions of steady state and weak steady state. We establish the continuity of weak steady states for an ergodic and uniformly elliptic environment. When the environment has finite range of dependence, we prove the existence of the steady state and weak steady state and compute its derivative at a vanishing force. Thus we obtain a complete `fluctuation-dissipation Theorem' in this context as well as the continuity of the effective variance.

Spectroscopic and photochemical properties of open-chain carotenoids.

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

Frank, H. A.; Josue, J. S.; Bautista, J. A.

2002-02-28

The spectroscopic properties of open-chain, all-trans-C{sub 30} carotenoids having seven, eight and nine {pi}-electron conjugated carbon-carbon double bonds were studied using steady-state absorption, fluorescence, fluorescence excitation and time-resolved absorption spectroscopy. These diapocarotenes were purified by high performance liquid chromatography (HPLC) prior to the spectroscopic experiments. The fluorescence data show a systematic crossover from dominant S{sub 1} {yields} S{sub 0} (2{sup 1}Ag{yields} 1{sup 1}Ag) emission to dominant S{sub 2} {yields} S{sub 0} (1{sup 1}Bu {yields} 1{sup 1}Ag) with increasing extent of conjugation. The low temperatures facilitated the determination of the spectral origins of the S{sub 1} {yields} S{sub 0} (2{sup 1}Agmore » {yields} 1{sup 1}Ag) emissions, which were assigned by Gaussian deconvolution of the experimental line shapes. The lifetimes of the S{sub 1} states of the molecules were measured by transient absorption spectroscopy and were found to decrease as the conjugated chain length increases. The energy gap law for radiationless transitions is used to correlate the S{sub 1} energies with the dynamics. These molecules provide a systematic series for understanding the structural features that control the photochemical properties of open-chain, diapocarotenoids. The implications of these results on the roles of carotenoids in photosynthetic organisms are discussed.« less

Steady state volcanism - Evidence from eruption histories of polygenetic volcanoes

NASA Technical Reports Server (NTRS)

Wadge, G.

1982-01-01

Cumulative volcano volume curves are presented as evidence for steady-state behavior at certain volcanoes and to develop a model of steady-state volcanism. A minimum criteria of five eruptions over a year was chosen to characterize a steady-state volcano. The subsequent model features a constant head of magmatic pressure from a reservoir supplied from depth, a sawtooth curve produced by the magma arrivals or discharge from the subvolcanic reservoir, large volume eruptions with long repose periods, and conditions of nonsupply of magma. The behavior of Mts. Etna, Nyamuragira, and Kilauea are described and show continuous levels of plasma output resulting in cumulative volume increases. Further discussion is made of steady-state andesitic and dacitic volcanism, long term patterns of the steady state, and magma storage, and the lack of a sufficient number of steady-state volcanoes in the world is taken as evidence that further data is required for a comprehensive model.

Estimating Systemic Exposure to Levonorgestrel from an Oral Contraceptive

PubMed Central

Basaraba, Cale N; Westhoff, Carolyn L; Pike, Malcolm C; Nandakumar, Renu; Cremers, Serge

2017-01-01

Objective The gold standard for measuring oral contraceptive (OC) pharmacokinetics is the 24-hour steady-state area-under-the-curve (AUC). We conducted this study to assess whether limited sampling at steady state or measurements following use of one or two OCs could provide an adequate proxy in epidemiological studies for the progestin 24-hour steady-state AUC of a particular OC. Study Design We conducted a 13-sample, 24-hour pharmacokinetic study on both day 1 and day 21 of the first cycle of a monophasic OC containing 30 μg ethinyl estradiol and 150 μg levonorgestrel (LNG) in 17 normal-weight healthy white women, and a single-dose 9-sample study of the same OC after a one-month washout. We compared the 13-sample steady-state results with several steady-state and single-dose results calculated using parsimonious sampling schemes. Results The 13-sample steady-state 24-hour LNG AUC was highly correlated with the steady-state 24-hour trough value (r = 0.95; 95% CI [0.85, 0.98]) and with the steady-state 6, 8, 12 and 16-hour values (0.92 ≤ r ≤ 0.95). The trough values after one or two doses were moderately correlated with the steady-state 24-hour AUC value (r = 0.70; 95% CI [0.27, 0.90] and 0.77; 95% CI [0.40, 0.92], respectively). Conclusions Single time-point concentrations at steady-state and after administration of one or two OCs gave highly to moderately correlated estimates of steady-state LNG AUC. Using such measures could facilitate prospective pharmaco-epidemiologic studies of the OC and its side effects. PMID:28041990

Steady increase of secondary organic aerosol mass concentration and light extinction during the CARES 2010 Field Campaign

NASA Astrophysics Data System (ADS)

Gyawali, M. S.; Arnott, W. P.; Flowers, B. A.; Dubey, M. K.; Atkinson, D. B.; Song, C.; Zaveri, R. A.; Setyan, A.; Zhang, Q.; Mazzoleni, C.; Gorkowski, K.

2011-12-01

We present multispectral (355, 375, 405, 532, 870, 781, and 1047 nm) aerosol light absorption and scattering measurements for the 2010 Carbonaceous Aerosols and Radiative Effects (CARES) campaign in Sacramento, CA and the Sierra Nevada foothills. The short wavelength scattering at both sites gradually increased during the last 10 days of the campaign as diagnosed by a systematic increase in the Ångström exponent of scattering. The UV and near UV enhanced scattering was likely a consequence of the ultra and sub-micron aerosol which began to grow vigorously in the size range where scattering at shorter wavelengths begins to increase. Multispectral aerosol light absorption coefficients suggest the absence of short wavelength light absorption by brown carbon. Aerosol mass spectrometer data also shows the steady increase of secondary organic aerosol during the last 10 days of CARES. The time series of the measurements made between the two sites (T0 and T1) separated by the slope of the foothills are strikingly similar, except for isolated night time episodes of enhanced absorption at T0. This is possibly due to paving events or other nocturnal emissions markers

Spectroscopic evidence for origins of size and support effects on selectivity of Cu nanoparticle dehydrogenation catalysts.

PubMed

Witzke, M E; Dietrich, P J; Ibrahim, M Y S; Al-Bardan, K; Triezenberg, M D; Flaherty, D W

2017-01-03

Selective dehydrogenation catalysts that produce acetaldehyde from bio-derived ethanol can increase the efficiency of subsequent processes such as C-C coupling over metal oxides to produce 1-butanol or 1,3-butadiene or oxidation to acetic acid. Here, we use in situ X-ray absorption spectroscopy and steady state kinetics experiments to identify Cu δ+ at the perimeter of supported Cu clusters as the active site for esterification and Cu 0 surface sites as sites for dehydrogenation. Correlation of dehydrogenation and esterification selectivities to in situ measures of Cu oxidation states show that this relationship holds for Cu clusters over a wide-range of diameters (2-35 nm) and catalyst supports and reveals that dehydrogenation selectivities may be controlled by manipulating either.

Reexamination of the Abraham-Minkowski dilemma

NASA Astrophysics Data System (ADS)

Silveirinha, Mário G.

2017-09-01

Here the Abraham-Minkowski controversy on the correct definition of the light momentum in a macroscopic medium is revisited with the purpose to highlight that an effective medium formalism necessarily restricts the available information on the internal state of a system, and that this is ultimately the reason why the dilemma has no universal solution. Despite these difficulties, it is demonstrated that in the limit of no material absorption and under steady-state conditions, the time-averaged light (kinetic) momentum may be unambiguously determined by the Abraham result, both for bodies at rest and for circulatory flows of matter. The implications of these findings are discussed in the context of quantum optics of moving media, and we examine in detail the fundamental role of the Minkowski momentum in such a context.

Microscopic theory of multiple-phonon-mediated dephasing and relaxation of quantum dots near a photonic band gap

NASA Astrophysics Data System (ADS)

Roy, Chiranjeeb; John, Sajeev

2010-02-01

We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption line shape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the “colored” electromagnetic vacuum of a photonic band-gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to an enhanced lifetime of a photon-atom bound state in a PBG. This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (breakup of phonons into lower energy phonons) and purely nonradiative decay. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption line shapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Cooperative and non-cooperative sensitization upconversion in lanthanide-doped LiYbF4 nanoparticles.

PubMed

Zou, Qilin; Huang, Ping; Zheng, Wei; You, Wenwu; Li, Renfu; Tu, Datao; Xu, Jin; Chen, Xueyuan

2017-05-18

Lanthanide (Ln 3+ )-doped upconversion nanoparticles (UCNPs) have attracted tremendous interest owing to their potential bioapplications. However, the intrinsic photophysics responsible for upconversion (UC) especially the cooperative sensitization UC (CSU) in colloidal Ln 3+ -doped UCNPs has remained untouched so far. Herein, we report a unique strategy for the synthesis of high-quality LiYbF 4 :Ln 3+ core-only and core/shell UCNPs with tunable particle sizes and shell thicknesses. Energy transfer UC from Er 3+ , Ho 3+ and Tm 3+ and CSU from Tb 3+ were comprehensively surveyed under 980 nm excitation. Through surface passivation, we achieved efficient non-cooperative sensitization UC with absolute UC quantum yields (QYs) of 3.36%, 0.69% and 0.81% for Er 3+ , Ho 3+ and Tm 3+ , respectively. Particularly, we for the first time quantitatively determined the CSU efficiency for Tb 3+ with an absolute QY of 0.0085% under excitation at a power density of 70 W cm -2 . By means of temperature-dependent steady-state and transient UC spectroscopy, we unraveled the dominant mechanisms of phonon-assisted cooperative energy transfer (T > 100 K) and sequential dimer ground-state absorption/excited-state absorption (T < 100 K) for the CSU process in LiYbF 4 :Tb 3+ UCNPs.

Direct Correlation of Excitonics with Efficiency in a Core-Shell Quantum Dot Solar Cell.

PubMed

Dana, Jayanta; Maiti, Sourav; Tripathi, Vaidehi S; Ghosh, Hirendra N

2018-02-16

Shell thickness dependent band-gap engineering of quasi type II core-shell material with higher carrier cooling time, lower interfacial defect states, and longer charge carrier recombination time can be a promising candidate for both photocatalysis and solar cell. In the present investigation, colloidal CdSe@CdS core-shells with different shell thickness (2, 4 and 6 monolayer CdS) were synthesized through hot injection method and have been characterized by high resolution transmission electron microscope (HRTEM) followed by steady state absorption and luminescence techniques. Ultrafast transient absorption (TA) studies suggest longer carrier cooling, lower interfacial surface states, and slower carrier recombination time in CdSe@CdS core-shell with increasing shell thickness. By TA spectroscopy, the role of CdS shell in power conversion efficiency (PCE) has been explained in detail. The measured PCE was found to initially increase and then decrease with increasing shell thickness. Shell thickness has been optimized to maximize the efficiency after correlating the shell controlled carrier cooling and recombination with PCE values and a maximum PCE of 3.88 % was obtained with 4 monolayers of CdS shell, which is found to be 57 % higher than compared to bare CdSe QDs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multimode optical fibers: steady state mode exciter.

PubMed

Ikeda, M; Sugimura, A; Ikegami, T

1976-09-01

The steady state mode power distribution of the multimode graded index fiber was measured. A simple and effective steady state mode exciter was fabricated by an etching technique. Its insertion loss was 0.5 dB for an injection laser. Deviation in transmission characteristics of multimode graded index fibers can be avoided by using the steady state mode exciter.

Cascading electron and hole transfer dynamics in a CdS/CdTe core-shell sensitized with bromo-pyrogallol red (Br-PGR): slow charge recombination in type II regime.

PubMed

Maity, Partha; Debnath, Tushar; Chopra, Uday; Ghosh, Hirendra Nath

2015-02-14

Ultrafast cascading hole and electron transfer dynamics have been demonstrated in a CdS/CdTe type II core-shell sensitized with Br-PGR using transient absorption spectroscopy and the charge recombination dynamics have been compared with those of CdS/Br-PGR composite materials. Steady state optical absorption studies suggest that Br-PGR forms strong charge transfer (CT) complexes with both the CdS QD and CdS/CdTe core-shell. Hole transfer from the photo-excited QD and QD core-shell to Br-PGR was confirmed by both steady state and time-resolved emission spectroscopy. Charge separation was also confirmed by detecting electrons in the conduction band of the QD and the cation radical of Br-PGR as measured from femtosecond transient absorption spectroscopy. Charge separation in the CdS/Br-PGR composite materials was found to take place in three different pathways, by transferring the photo-excited hole of CdS to Br-PGR, electron injection from the photo-excited Br-PGR to the CdS QD, and direct electron transfer from the HOMO of Br-PGR to the conduction band of the CdS QD. However, in the CdS/CdTe/Br-PGR system hole transfer from the photo-excited CdS to Br-PGR and electron injection from the photo-excited Br-PGR to CdS take place after cascading through the CdTe shell QD. Charge separation also takes place via direct electron transfer from the Br-PGR HOMO to the conduction band of CdS/CdTe. Charge recombination (CR) dynamics between the electron in the conduction band of the CdS QD and the Br-PGR cation radical were determined by monitoring the bleach recovery kinetics. The CR dynamics were found to be much slower in the CdS/CdTe/Br-PGR system than in the CdS/Br-PGR system. The formation of the strong CT complex and the separation of charges cascading through the CdTe shell help to slow down charge recombination in the type II regime.

Prospective treatment planning to improve locoregional hyperthermia for oesophageal cancer.

PubMed

Kok, H P; van Haaren, P M A; van de Kamer, J B; Zum Vörde Sive Vörding, P J; Wiersma, J; Hulshof, M C C M; Geijsen, E D; van Lanschot, J J B; Crezee, J

2006-08-01

In the Academic Medical Center (AMC) Amsterdam, locoregional hyperthermia for oesophageal tumours is applied using the 70 MHz AMC-4 phased array system. Due to the occurrence of treatment-limiting hot spots in normal tissue and systemic stress at high power, the thermal dose achieved in the tumour can be sub-optimal. The large number of degrees of freedom of the heating device, i.e. the amplitudes and phases of the antennae, makes it difficult to avoid treatment-limiting hot spots by intuitive amplitude/phase steering. Prospective hyperthermia treatment planning combined with high resolution temperature-based optimization was applied to improve hyperthermia treatment of patients with oesophageal cancer. All hyperthermia treatments were performed with 'standard' clinical settings. Temperatures were measured systemically, at the location of the tumour and near the spinal cord, which is an organ at risk. For 16 patients numerically optimized settings were obtained from treatment planning with temperature-based optimization. Steady state tumour temperatures were maximized, subject to constraints to normal tissue temperatures. At the start of 48 hyperthermia treatments in these 16 patients temperature rise (DeltaT) measurements were performed by applying a short power pulse with the numerically optimized amplitude/phase settings, with the clinical settings and with mixed settings, i.e. numerically optimized amplitudes combined with clinical phases. The heating efficiency of the three settings was determined by the measured DeltaT values and the DeltaT-ratio between the DeltaT in the tumour (DeltaToes) and near the spinal cord (DeltaTcord). For a single patient the steady state temperature distribution was computed retrospectively for all three settings, since the temperature distributions may be quite different. To illustrate that the choice of the optimization strategy is decisive for the obtained settings, a numerical optimization on DeltaT-ratio was performed for this patient and the steady state temperature distribution for the obtained settings was computed. A higher DeltaToes was measured with the mixed settings compared to the calculated and clinical settings; DeltaTcord was higher with the mixed settings compared to the clinical settings. The DeltaT-ratio was approximately 1.5 for all three settings. These results indicate that the most effective tumour heating can be achieved with the mixed settings. DeltaT is proportional to the Specific Absorption Rate (SAR) and a higher SAR results in a higher steady state temperature, which implies that mixed settings are likely to provide the most effective heating at steady state as well. The steady state temperature distributions for the clinical and mixed settings, computed for the single patient, showed some locations where temperatures exceeded the normal tissue constraints used in the optimization. This demonstrates that the numerical optimization did not prescribe the mixed settings, because it had to comply with the constraints set to the normal tissue temperatures. However, the predicted hot spots are not necessarily clinically relevant. Numerical optimization on DeltaT-ratio for this patient yielded a very high DeltaT-ratio ( approximately 380), albeit at the cost of excessive heating of normal tissue and lower steady state tumour temperatures compared to the conventional optimization. Treatment planning can be valuable to improve hyperthermia treatments. A thorough discussion on clinically relevant objectives and constraints is essential.

Illustrating the Steady-State Condition and the Single-Molecule Kinetic Method with the NMDA Receptor

ERIC Educational Resources Information Center

Kosman, Daniel J.

2009-01-01

The steady-state is a fundamental aspect of biochemical pathways in cells; indeed, the concept of steady-state is a definition of life itself. In a simple enzyme kinetic scheme, the steady-state condition is easy to define analytically but experimentally often difficult to capture because of its evanescent quality; the initial, constant velocity…

Steady state and a general scale law of deformation

NASA Astrophysics Data System (ADS)

Huang, Yan

2017-07-01

Steady state deformation has been characterized based on the experimental results for dilute single-phase aluminium alloys. It was found that although characteristic properties such as flow stress and grain size remained constant with time, a continuous loss of grain boundaries occurred as an essential feature at steady state. A physical model, which takes into account the activity of grain boundary dislocations, was developed to describe the kinetics of steady state deformation. According to this model, the steady state as a function of strain rate and temperature defines the limit of the conventional grain size and strength relationship, i.e., the Hall-Petch relation holds when the grain size is larger than that at the steady state, and an inverse Hall-Petch relation takes over if grain size is smaller than the steady state value. The transition between the two relationships relating grain size and strength is a phenomenon that depends on deformation conditions, rather than an intrinsic property as generally perceived. A general scale law of deformation is established accordingly.

Phased array ghost elimination (PAGE) for segmented SSFP imaging with interrupted steady-state.

PubMed

Kellman, Peter; Guttman, Michael A; Herzka, Daniel A; McVeigh, Elliot R

2002-12-01

Steady-state free precession (SSFP) has recently proven to be valuable for cardiac imaging due to its high signal-to-noise ratio and blood-myocardium contrast. Data acquired using ECG-triggered, segmented sequences during the approach to steady-state, or return to steady-state after interruption, may have ghost artifacts due to periodic k-space distortion. Schemes involving several preparatory RF pulses have been proposed to restore steady-state, but these consume imaging time during early systole. Alternatively, the phased-array ghost elimination (PAGE) method may be used to remove ghost artifacts from the first several frames. PAGE was demonstrated for cardiac cine SSFP imaging with interrupted steady-state using a simple alpha/2 magnetization preparation and storage scheme and a spatial tagging preparation.

Charge Carrier Dynamics and pH Effect on Optical Properties of Anionic and Cationic Porphyrin-Graphene Oxide Composites

NASA Astrophysics Data System (ADS)

Bajjou, O.; Bakour, A.; Khenfouch, M.; Baitoul, M.; Mothudi, B.; Maaza, M.; Faulques, E.

2018-02-01

Composites of graphene oxide (GO) functionalized with Sn(V) tetrakis (4-pyridyl)porphyrin (SnTPyP2+) and meso-tetrakis(4-phenylsulfonic acid)porphyrin (H4TPPS4 2- ) were prepared at different pH values.Successful synthesis of water-soluble stable suspension of GO-SnTPyP2+ and GO-H4TPPS4 2-was confirmed using various spectroscopic techniques, including scanning electronic microscopy (SEM), Raman spectroscopy, and ultraviolet-visible (UV-Vis) absorption. Variation of the pH was found to strongly influence the optical properties of the GO-SnTPyP2+ and GO-H4TPPS4 2-composites, as demonstrated by the UV-Vis absorption results. Steady-state photoluminescence (PL) and time-resolved PL (TRPL) results for both composites showed PL quenching and decrease in the exciton mean lifetime, suggesting strong excited-state interactions between the different components. Moreover, charge carrier dynamics study revealed that insertion of GO into both porphyrin derivatives led to faster mean lifetime for excitons with a slight advantage in the case of the cationic porphyrin-GO composite, making it a better choice for charge separation applications thanks to the higher efficiency of charge/energy transfer interactions.

Spectroscopic investigation of the noncovalent association of the nerve agent simulant diisopropyl methylphosphonate (DIMP) with zinc(II) porphyrins.

PubMed

Maza, William A; Vetromile, Carissa M; Kim, Chungsik; Xu, Xue; Zhang, X Peter; Larsen, Randy W

2013-11-07

Organophosphonates pose a significant threat as chemical warfare agents, as well as environmental toxins in the form of pesticides. Thus, methodologies to sense and decontaminate these agents are of significant interest. Porphyrins and metalloporphyrins offer an excellent platform to develop chemical threat sensors and photochemical degradation systems. These highly conjugated planar molecules exhibit relatively long-lived singlet and triplet states with high quantum yields and also form self-associated complexes with a wide variety of molecules. A significant aspect of porphyrins is the ability to functionalize the peripheral ring system either directly to the pyrrole rings or to the bridging methine carbons. In this report, steady-state absorption and fluorescence are utilized to probe binding affinities of a series of symmetric and asymmetric zinc(II) metalloporphyrins for the nerve agent simulant diisopropyl methylphosphonate (DIMP) in hexane. The red shifts in the absorption and emission spectra observed for all of the metalloporphyrins probed are discussed in the frame of Gouterman's four orbital model and a common binding motif involving coordination between the metalloporphyrin and DIMP via interaction between the zinc metal center of the porphyrin and phosphoryl oxygen of DIMP (Zn-O═P) is proposed.

Bioaccumulation factors and the steady state assumption for cesium isotopes in aquatic foodwebs near nuclear facilities.

PubMed

Rowan, D J

2013-07-01

Steady state approaches, such as transfer coefficients or bioaccumulation factors, are commonly used to model the bioaccumulation of (137)Cs in aquatic foodwebs from routine operations and releases from nuclear generating stations and other nuclear facilities. Routine releases from nuclear generating stations and facilities, however, often consist of pulses as liquid waste is stored, analyzed to ensure regulatory compliance and then released. The effect of repeated pulse releases on the steady state assumption inherent in the bioaccumulation factor approach has not been evaluated. In this study, I examine the steady state assumption for aquatic biota by analyzing data for two cesium isotopes in the same biota, one isotope in steady state (stable (133)Cs) from geologic sources and the other released in pulses ((137)Cs) from reactor operations. I also compare (137)Cs bioaccumulation factors for similar upstream populations from the same system exposed solely to weapon test (137)Cs, and assumed to be in steady state. The steady state assumption appears to be valid for small organisms at lower trophic levels (zooplankton, rainbow smelt and 0+ yellow perch) but not for older and larger fish at higher trophic levels (walleye). Attempts to account for previous exposure and retention through a biokinetics approach had a similar effect on steady state, upstream and non-steady state, downstream populations of walleye, but were ineffective in explaining the more or less constant deviation between fish with steady state exposures and non-steady state exposures of about 2-fold for all age classes of walleye. These results suggest that for large, piscivorous fish, repeated exposure to short duration, pulse releases leads to much higher (137)Cs BAFs than expected from (133)Cs BAFs for the same fish or (137)Cs BAFs for similar populations in the same system not impacted by reactor releases. These results suggest that the steady state approach should be used with caution in any situation where reactor releases are episodic or pulse in nature, even if the magnitude of these releases is small. Copyright © 2012. Published by Elsevier Ltd.

Spatial effects in intrinsic optical bistability

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

Haus, J.W.; Wang, L.; Scalora, M.

Using the nonlinear oscillator model as a prototype medium exhibiting intrinsic optical bistability, we investigate the inhomogeneous absorption of the electromagnetic field. The forward- and backward-field amplitudes and diffraction effects are retained in the mathematical description. Analytic results are given in the limit of plane-wave propagation under steady-state conditions. The transmitted and reflected intensity exhibit a structure that is determined by the spatial inhomogeneity of the absorption in the longitudinal direction. The transmitted intensity has a structure that is dependent on the length of the medium. The reflected intensity has an interference structure from light reflected at the front surfacemore » and the internal boundary separating a high-polarization from a low-polarization branch. A degenerate-four-wave-mixing experiment is predicted to be a very sensitive probe of the internal boundary and the interference between the forward and backward field. The phase-conjugate signal develops large oscillations as the input field is varied. Numerical results for diffraction effects are also given, and we find that the plane-wave results for the center of the beam remain reliable down to Fresnel numbers of order unity and in media that are smaller than the linear absorption length.« less

Steady shape analysis of tomographic pumping tests for characterization of aquifer heterogeneities

USGS Publications Warehouse

Bohling, Geoffrey C.; Zhan, Xiaoyong; Butler, James J.; Zheng, Li

2002-01-01

Hydraulic tomography, a procedure involving the performance of a suite of pumping tests in a tomographic format, provides information about variations in hydraulic conductivity at a level of detail not obtainable with traditional well tests. However, analysis of transient data from such a suite of pumping tests represents a substantial computational burden. Although steady state responses can be analyzed to reduce this computational burden significantly, the time required to reach steady state will often be too long for practical applications of the tomography concept. In addition, uncertainty regarding the mechanisms driving the system to steady state can propagate to adversely impact the resulting hydraulic conductivity estimates. These disadvantages of a steady state analysis can be overcome by exploiting the simplifications possible under the steady shape flow regime. At steady shape conditions, drawdown varies with time but the hydraulic gradient does not. Thus transient data can be analyzed with the computational efficiency of a steady state model. In this study, we demonstrate the value of the steady shape concept for inversion of hydraulic tomography data and investigate its robustness with respect to improperly specified boundary conditions.

Studies on the solvation dynamics of coumarin 153 in 1-ethyl-3-methylimidazolium alkylsulfate ionic liquids: dependence on alkyl chain length.

PubMed

Das, Sudhir Kumar; Sarkar, Moloy

2012-08-06

Steady-state and time-resolved fluorescence behavior of coumarin 153 (C153) is investigated in a series of 1-ethyl-3-methylimidazolium alkylsulfate ([C(2)mim][C(n)OSO(3)]) ionic liquids differing only in the length of the linear alkyl chain (n = 4, 6, and 8) in the anion. The aim of the present study is to understand the role of alkyl chain length in solute rotation and solvation dynamics of C153 in these ionic liquids. The blueshift observed in the steady-state absorption and emission maxima of C153 on going from the C(4)OSO(3) to the C(8)OSO(3) system indicates increasing nonpolar character of the microenvironment of the solute with increasing length of the alkyl side chain of the anion of the ionic liquids. The average solvation time is also found to increase on changing the substituent from butyl to octyl, and this is attributed to the increase in the bulk viscosity of the ILs. A steady blueshift of the time-zero maximum of the fluorescence spectrum with increasing alkyl chain length also indicates that the probe molecule experiences a less polar environment in the early part of the dynamics. Rotational dynamics of C153 are also analyzed by using the Stokes-Einstein-Debye (SED), Gierer-Wirtz (GW), and Dote-Kivelson-Schwartz (DKS) theories. Analyses of the results seem to suggest decoupling of the rotational motion of the probe from solvent viscosity. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Steady states and stability in metabolic networks without regulation.

PubMed

Ivanov, Oleksandr; van der Schaft, Arjan; Weissing, Franz J

2016-07-21

Metabolic networks are often extremely complex. Despite intensive efforts many details of these networks, e.g., exact kinetic rates and parameters of metabolic reactions, are not known, making it difficult to derive their properties. Considerable effort has been made to develop theory about properties of steady states in metabolic networks that are valid for any values of parameters. General results on uniqueness of steady states and their stability have been derived with specific assumptions on reaction kinetics, stoichiometry and network topology. For example, deep results have been obtained under the assumptions of mass-action reaction kinetics, continuous flow stirred tank reactors (CFSTR), concordant reaction networks and others. Nevertheless, a general theory about properties of steady states in metabolic networks is still missing. Here we make a step further in the quest for such a theory. Specifically, we study properties of steady states in metabolic networks with monotonic kinetics in relation to their stoichiometry (simple and general) and the number of metabolites participating in every reaction (single or many). Our approach is based on the investigation of properties of the Jacobian matrix. We show that stoichiometry, network topology, and the number of metabolites that participate in every reaction have a large influence on the number of steady states and their stability in metabolic networks. Specifically, metabolic networks with single-substrate-single-product reactions have disconnected steady states, whereas in metabolic networks with multiple-substrates-multiple-product reactions manifolds of steady states arise. Metabolic networks with simple stoichiometry have either a unique globally asymptotically stable steady state or asymptotically stable manifolds of steady states. In metabolic networks with general stoichiometry the steady states are not always stable and we provide conditions for their stability. In order to demonstrate the biological relevance we illustrate the results on the examples of the TCA cycle, the mevalonate pathway and the Calvin cycle. Copyright © 2016 Elsevier Ltd. All rights reserved.

Pharmacokinetics of lidocaine and bupivacaine following subarachnoid administration in surgical patients: simultaneous investigation of absorption and disposition kinetics using stable isotopes

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

Burm, A.G.; Van Kleef, J.W.; Vermeulen, N.P.

1988-10-01

The pharmacokinetics of lidocaine and bupivacaine following subarachnoid administration were studied in 12 surgical patients using a stable isotope method. After subarachnoid administration of the agent to be evaluated, a deuterium-labelled analogue was administered intravenously. Blood samples were collected for 24 h. Plasma concentrations of the unlabelled and the deuterium-labelled local anesthetics were determined using a combination of capillary gas chromatography and mass fragmentography. Bi-exponential functions were fitted to the plasma concentration-time data of the deuterium-labelled local anesthetics. The progression of the absorption was evaluated using deconvolution. Mono- and bi-exponential functions were then fitted to the fraction absorbed versus timemore » data. The distribution and elimination half-lives of the deuterium-labelled analogues were 25 +/- 13 min (mean +/- SD) and 121 +/- 31 min for lidocaine and 19 +/- 10 min and 131 +/- 33 min for bupivacaine. The volumes of the central compartment and steady-state volumes of distribution were: lidocaine 57 +/- 10 l and 105 +/- 25 l, bupivacaine 25 +/- 6 l and 63 +/- 22 l. Total plasma clearance values averaged 0.97 +/- 0.21 l/min for lidocaine and 0.56 +/- 0.14 l/min for bupivacaine. The absorption of lidocaine could be described by a single first order absorption process, characterized by a half-life of 71 +/- 17 min in five out of six patients. The absorption of bupivacaine could be described adequately assuming two parallel first order absorption processes in all six patients. The half-lives, characterizing the fast and slow absorption processes of bupivacaine, were 50 +/- 27 min and 408 +/- 275 min, respectively. The fractions of the dose, absorbed in the fast and slow processes, were 0.35 +/- 0.17 and 0.61 +/- 0.16, respectively.« less

The simulation of electromagnetically driven strong Langmuir turbulence effect on the backscatter radiation from ionosphere

NASA Astrophysics Data System (ADS)

Kochetov, Andrey

2016-07-01

Numerical simulations of the dynamics of electromagnetic fields in a smoothly inhomogeneous nonlinear plasma layer in frameworks of the nonlinear Schrödinger equation with boundary conditions responsible for the pumping of the field in the layer by an incident wave and the inverse radiation losses supplemented the volume field dissipation due to the electromagnetic excitation of Langmuir turbulence are carried out. The effects of the threshold of non-linearity and it's evolution, of the threshold and saturation levels of dissipation in the vicinity of the wave reflection point on the features of the dynamics of reflection and absorption indexes are investigated. We consider the hard drive damping depending on the local field amplitude and hysteresis losses with different in several times "on" and "off" absorption thresholds as well. The dependence of the thresholds of the steady-state, periodic and chaotic regimes of plasma-wave interaction on the scenario of turbulence evolution is demonstrated. The results are compared with the experimental observations of Langmuir stage ionospheric modification.

Fluorescence of acridinic dyes in anionic surfactant solution

NASA Astrophysics Data System (ADS)

Pereira, Robson Valentim; Gehlen, Marcelo Henrique

2005-10-01

The interaction of the cationic dyes acridine, 9-aminoacridine (9AA), and proflavine, with sodium dodecyl sulfate (SDS) was studied by electronic absorption, steady-state and time-resolved fluorescence spectroscopies. The dyes interact with SDS in the pre-micellar region leading in two cases to dimerization in dye-surfactant aggregates, but with distinct molecular arrangements. For proflavine, the observed red shift of the electronic absorption band indicates the presence of J-aggregate, which are nonfluorescent. In the case of 9AA, the aggregates were characterized as nonspecific (neither J- nor H-type is spectroscopically observed). The time-resolved emission spectra gives evidences of the presence of weakly bound dimers by the recovery of three defined decay times by global analysis: dye monomer ( τ1 = 16.4 ns), dimer ( τ2 = 7.1 ns), and a faster component ( τ3 = 2.1 ns) ascribed to intracluster energy migration between monomer and dimer. Acridine has a weak interaction with SDS forming only an ion pair without further self-aggregation of the dye.

Fluorescence of acridinic dyes in anionic surfactant solution.

PubMed

Pereira, Robson Valentim; Gehlen, Marcelo Henrique

2005-10-01

The interaction of the cationic dyes acridine, 9-aminoacridine (9AA), and proflavine, with sodium dodecyl sulfate (SDS) was studied by electronic absorption, steady-state and time-resolved fluorescence spectroscopies. The dyes interact with SDS in the pre-micellar region leading in two cases to dimerization in dye-surfactant aggregates, but with distinct molecular arrangements. For proflavine, the observed red shift of the electronic absorption band indicates the presence of J-aggregate, which are nonfluorescent. In the case of 9AA, the aggregates were characterized as nonspecific (neither J- nor H-type is spectroscopically observed). The time-resolved emission spectra gives evidences of the presence of weakly bound dimers by the recovery of three defined decay times by global analysis: dye monomer (tau1 = 16.4 ns), dimer (tau2 = 7.1 ns), and a faster component (tau3 = 2.1 ns) ascribed to intracluster energy migration between monomer and dimer. Acridine has a weak interaction with SDS forming only an ion pair without further self-aggregation of the dye.

A high performance porous flat-plate solar collector

NASA Technical Reports Server (NTRS)

Lansing, F. L.; Clarke, V.; Reynolds, R.

1979-01-01

A solar collector employing a porous matrix as a solar absorber and heat exchanger is presented and its application in solar air heaters is discussed. The collector is composed of a metallic matrix with a porous surface which acts as a large set of cavity radiators; cold air flows through the matrix plate and exchanges heat with the thermally stratified layers of the matrix. A steady-state thermal analysis of the collector is used to determine collector temperature distributions for the cases of an opaque surface matrix with total absorption of solar energy at the surface, and a diathermanous matrix with successive solar energy absorption at each depth. The theoretical performance of the porous flat plate collector is shown to exceed greatly that of a solid flat plate collector using air as the working medium for any given set of operational conditions. An experimental collector constructed using commercially available, low cost steel wool as the matrix has been found to have thermal efficiencies from 73 to 86%.

Temperature-controlled electrothermal atomization-atomic absorption spectrometry using a pyrometric feedback system in conjunction with a background monitoring device

NASA Astrophysics Data System (ADS)

Van Deijck, W.; Roelofsen, A. M.; Pieters, H. J.; Herber, R. F. M.

The construction of a temperature-controlled feedback system for electrothermal atomization-atomic absorption spectrometry (ETA-AAS) using an optical pyrometer applied to the atomization stage is described. The system was used in conjunction with a fast-response background monitoring device. The heating rate of the furnace amounted to 1400° s -1 with a reproducibility better than 1%. The precision of the temperature control at a steady state temperature of 2000°C was 0.1%. The analytical improvements offered by the present system have been demonstrated by the determination of cadmium and lead in blood and finally by the determination of lead in serum. Both the sensitivity and the precision of the method have been improved. The accuracy of the method was checked by determining the lead content for a number of scrum samples both by ETA-AAS and differential pulse anodic stripping voltametry (DPASV) and proved to be satisfactory.

Effect of TiO2 nanoparticles on some photophysical characteristics of ketocyanine dyes.

PubMed

Thipperudrappa, Javuku; Raghavendra, U P; Basanagouda, Mahantesha

2017-11-01

The effect of titanium dioxide (TiO 2 ) nanoparticles (NPs) on photophysical characteristics of 2,5-di[(E)-1-(4-dimethylaminophenyl) methylidine]-1-cyclopentanone (2,5-DMAPMC) and 2,5-di[(E)-1-(4-diethylaminophenyl)methylidine]-1-cyclopentanone (2,5-DEAPMC) ketocyanine dyes has been studied using absorption, steady-state and time-resolved fluorescence spectroscopy. The magnitudes of association constants determined based on modified absorption spectrum of dyes due to the presence of TiO 2 NPs indicate the interaction of TiO 2 NPs with dye molecules. The quenching of fluorescence intensity of dyes by TiO 2 NPs is observed and it follows linear Stern-Volmer (S-V) equation. The magnitude of quenching rate parameter suggests the involvement of static quenching mechanism. The involvement of electron transfer process in reducing fluorescence intensity of dyes has been discussed. Also, varying influence of TiO 2 NPs on two dyes is explained based on the presence of different alkyl substituent in two dyes. Copyright © 2017 John Wiley & Sons, Ltd.

Computational multiple steady states for enzymatic esterification of ethanol and oleic acid in an isothermal CSTR.

PubMed

Ho, Pang-Yen; Chuang, Guo-Syong; Chao, An-Chong; Li, Hsing-Ya

2005-05-01

The capacity of complex biochemical reaction networks (consisting of 11 coupled non-linear ordinary differential equations) to show multiple steady states, was investigated. The system involved esterification of ethanol and oleic acid by lipase in an isothermal continuous stirred tank reactor (CSTR). The Deficiency One Algorithm and the Subnetwork Analysis were applied to determine the steady state multiplicity. A set of rate constants and two corresponding steady states are computed. The phenomena of bistability, hysteresis and bifurcation are discussed. Moreover, the capacity of steady state multiplicity is extended to the family of the studied reaction networks.

Electronic Interactions of Michler's Ketone with DNA Bases in Synthetic Hairpins.

PubMed

Jalilov, Almaz S; Young, Ryan M; Eaton, Samuel W; Wasielewski, Michael R; Lewis, Frederick D

2015-01-01

The mechanism and dynamics of photoinduced electron transfer in two families of DNA hairpins possessing Michler's ketone linkers have been investigated by means of steady state and time-resolved transient absorption and emission spectroscopies. The excited state behavior of the diol linker employed in hairpin synthesis is similar to that of Michler's ketone in methanol solution. Hairpins possessing only a Michler's ketone linker undergo fast singlet state charge separation and charge recombination with an adjacent purine base, attributed to well-stacked ground state conformations, and intersystem crossing to the triplet state, attributed to poorly stacked ground state conformations. The failure of the triplet to undergo electron transfer reactions on the 7 ns time scale of our measurements is attributed to the low triplet energy and reduction potential of the twisted triplet state. Hairpins possessing both a Michler's ketone linker and a perylenediimide base surrogate separated by four base pairs undergo photoinduced hole transport from the diimide to Michler's ketone upon excitation of the diimide. The efficiency of hole transport is dependent upon the sequence of the intervening purine bases. © 2014 The American Society of Photobiology.

An Intuitive Approach to Steady-State Kinetics.

ERIC Educational Resources Information Center

Raines, Ronald T.; Hansen, David E.

1988-01-01

Attempts to provide an intuitive understanding of steady state kinetics. Discusses the meaning of steady state and uses free energy profiles to illustrate and follow complex kinetic and thermodynamic relationships. Provides examples with explanations. (MVL)

Effect of flaw size and temperature on the matrix cracking behavior of a brittle ceramic matrix composite

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

Anandakumar, U.; Webb, J.E.; Singh, R.N.

The matrix cracking behavior of a zircon matrix - uniaxial SCS 6 fiber composite was studied as a function of initial flaw size and temperature. The composites were fabricated by a tape casting and hot pressing technique. Surface flaws of controlled size were introduced using a vicker`s indenter. The composite samples were tested in three point flexure at three different temperatures to study the non steady state and steady state matrix cracking behavior. The composite samples exhibited steady state and non steady matrix cracking behavior at all temperatures. The steady state matrix cracking stress and steady state crack size increasedmore » with increasing temperature. The results of the study correlated well with the results predicted by the matrix cracking models.« less

Differences between automatically detected and steady-state fractional flow reserve.

PubMed

Härle, Tobias; Meyer, Sven; Vahldiek, Felix; Elsässer, Albrecht

2016-02-01

Measurement of fractional flow reserve (FFR) has become a standard diagnostic tool in the catheterization laboratory. FFR evaluation studies were based on pressure recordings during steady-state maximum hyperemia. Commercially available computer systems detect the lowest Pd/Pa ratio automatically, which might not always be measured during steady-state hyperemia. We sought to compare the automatically detected FFR and true steady-state FFR. Pressure measurement traces of 105 coronary lesions from 77 patients with intermediate coronary lesions or multivessel disease were reviewed. In all patients, hyperemia had been achieved by intravenous adenosine administration using a dosage of 140 µg/kg/min. In 42 lesions (40%) automatically detected FFR was lower than true steady-state FFR. Mean bias was 0.009 (standard deviation 0.015, limits of agreement -0.02, 0.037). In 4 lesions (3.8%) both methods lead to different treatment recommendations, in all 4 cases instantaneous wave-free ratio confirmed steady-state FFR. Automatically detected FFR was slightly lower than steady-state FFR in more than one-third of cases. Consequently, interpretation of automatically detected FFR values closely below the cutoff value requires special attention.

Human serum albumin stability and toxicity of anthraquinone dye alizarin complexone: an albumin-dye model.

PubMed

Ding, Fei; Zhang, Li; Diao, Jian-Xiong; Li, Xiu-Nan; Ma, Lin; Sun, Ying

2012-05-01

The complexation between the primary vector of ligands in blood plasma, human serum albumin (HSA) and a toxic anthraquinone dye alizarin complexone, was unmasked by means of circular dichroism (CD), molecular modeling, steady state and time-resolved fluorescence, and UV/vis absorption measurements. The structural investigation of the complexed HSA through far-UV CD, three-dimensional and synchronous fluorescence shown the polypeptide chain of HSA partially destabilizing with a reduction of α-helix upon conjugation. From molecular modeling and competitive ligand binding results, Sudlow's site I, which was the same as that of warfarin-azapropazone site, was appointed to retain high-affinity for alizarin complexone. Moreover, steady state fluorescence displayed that static type and Förster energy transfer is the operational mechanism for the vanish in the tryptophan (Trp)-214 fluorescence, this corroborates time-resolved fluorescence that HSA-alizarin complexone adduct formation has an affinity of 10(5) M(-1), and the driving forces were found to be chiefly π-π, hydrophobic, and hydrogen bonds, associated with an exothermic free energy change. These data should be utilized to illustrate the mechanism by which the toxicological action of anthraquinone dyes is mitigated by transporter HSA. Copyright © 2012 Elsevier Inc. All rights reserved.

Time-resolved studies of energy transfer from meso-tetrakis(N-methylpyridinium-4-yl)- porphyrin to 3,3'-diethyl-2,2'-thiatricarbocyanine iodide along deoxyribonucleic acid Chain.

PubMed

Kakiuchi, Toshifumi; Ito, Fuyuki; Nagamura, Toshihiko

2008-04-03

The excitation energy transfer from meso-tetrakis(N-methylpyridinium-4-yl)porphyrin (TMPyP) to 3,3'-diethyl-2,2'-thiatricarbocyanine iodide (DTTCI) along the deoxyribonucleic acid (DNA) double strand was investigated by the steady-state absorption and fluorescence measurements and time-resolved fluorescence measurements. The steady-state fluorescence spectra showed that the near-infrared fluorescence of DTTCI was strongly enhanced up to 86 times due to the energy transfer from the excited TMPyP molecule in DNA buffer solution. Furthermore, we elucidated the mechanism of fluorescence quenching and enhancement by the direct observation of energy transfer using the time-resolved measurements. The fluorescence quenching of TMPyP chiefly consists of a static component due to the formation of complex and dynamic components due to the excitation energy transfer. In a heterogeneous one-dimensional system such as a DNA chain, it was proved that the energy transfer process only carries out within the critical distance based on the Förster theory and within a threshold value estimated from the modified Stern-Volmer equation. The present results showed that DNA chain is one of the most powerful tools for nanoassemblies and will give a novel concepts of material design.

Fourier decomposition pulmonary MRI using a variable flip angle balanced steady-state free precession technique.

PubMed

Corteville, D M R; Kjïrstad, Å; Henzler, T; Zöllner, F G; Schad, L R

2015-05-01

Fourier decomposition (FD) is a noninvasive method for assessing ventilation and perfusion-related information in the lungs. However, the technique has a low signal-to-noise ratio (SNR) in the lung parenchyma. We present an approach to increase the SNR in both morphological and functional images. The data used to create functional FD images are usually acquired using a standard balanced steady-state free precession (bSSFP) sequence. In the standard sequence, the possible range of the flip angle is restricted due to specific absorption rate (SAR) limitations. Thus, using a variable flip angle approach as an optimization is possible. This was validated using measurements from a phantom and six healthy volunteers. The SNR in both the morphological and functional FD images was increased by 32%, while the SAR restrictions were kept unchanged. Furthermore, due to the higher SNR, the effective resolution of the functional images was increased visibly. The variable flip angle approach did not introduce any new transient artifacts, and blurring artifacts were minimized. Both a gain in SNR and an effective resolution gain in functional lung images can be obtained using the FD method in conjunction with a variable flip angle optimized bSSFP sequence. © 2014 Wiley Periodicals, Inc.

Extended RF shimming: Sequence-level parallel transmission optimization applied to steady-state free precession MRI of the heart.

PubMed

Beqiri, Arian; Price, Anthony N; Padormo, Francesco; Hajnal, Joseph V; Malik, Shaihan J

2017-06-01

Cardiac magnetic resonance imaging (MRI) at high field presents challenges because of the high specific absorption rate and significant transmit field (B 1 + ) inhomogeneities. Parallel transmission MRI offers the ability to correct for both issues at the level of individual radiofrequency (RF) pulses, but must operate within strict hardware and safety constraints. The constraints are themselves affected by sequence parameters, such as the RF pulse duration and TR, meaning that an overall optimal operating point exists for a given sequence. This work seeks to obtain optimal performance by performing a 'sequence-level' optimization in which pulse sequence parameters are included as part of an RF shimming calculation. The method is applied to balanced steady-state free precession cardiac MRI with the objective of minimizing TR, hence reducing the imaging duration. Results are demonstrated using an eight-channel parallel transmit system operating at 3 T, with an in vivo study carried out on seven male subjects of varying body mass index (BMI). Compared with single-channel operation, a mean-squared-error shimming approach leads to reduced imaging durations of 32 ± 3% with simultaneous improvement in flip angle homogeneity of 32 ± 8% within the myocardium. © 2017 The Authors. NMR in Biomedicine published by John Wiley & Sons Ltd.

The operating diagram of a model of two competitors in a chemostat with an external inhibitor.

PubMed

Dellal, Mohamed; Lakrib, Mustapha; Sari, Tewfik

2018-05-24

Understanding and exploiting the inhibition phenomenon, which promotes the stable coexistence of species, is a major challenge in the mathematical theory of the chemostat. Here, we study a model of two microbial species in a chemostat competing for a single resource in the presence of an external inhibitor. The model is a four-dimensional system of ordinary differential equations. Using general monotonic growth rate functions of the species and absorption rate of the inhibitor, we give a complete analysis for the existence and local stability of all steady states. We focus on the behavior of the system with respect of the three operating parameters represented by the dilution rate and the input concentrations of the substrate and the inhibitor. The operating diagram has the operating parameters as its coordinates and the various regions defined in it correspond to qualitatively different asymptotic behavior: washout, competitive exclusion of one species, coexistence of the species around a stable steady state and coexistence around a stable cycle. This bifurcation diagram which determines the effect of the operating parameters, is very useful to understand the model from both the mathematical and biological points of view, and is often constructed in the mathematical and biological literature. Copyright © 2018 Elsevier Inc. All rights reserved.

On the time to steady state: insights from numerical modeling

NASA Astrophysics Data System (ADS)

Goren, L.; Willett, S.; McCoy, S. W.; Perron, J.

2013-12-01

How fast do fluvial landscapes approach steady state after an application of tectonic or climatic perturbation? While theory and some numerical models predict that the celerity of the advective wave (knickpoint) controls the response time for perturbations, experiments and other landscape evolution models demonstrate that the time to steady state is much longer than the theoretically predicted response time. We posit that the longevity of transient features and the time to steady state are controlled by the stability of the topology and geometry of channel networks. Evolution of a channel network occurs by a combination of discrete capture events and continuous migration of water divides, processes, which are difficult to represent accurately in landscape evolution models. We therefore address the question of the time to steady state using the DAC landscape evolution model that solves accurately for the location of water divides, using a combination of analytical solution for hillslopes and low-order channels together with a numerical solution for higher order channels. DAC also includes an explicit capture criterion. We have tested fundamental predictions from DAC and show that modeled networks reproduce natural network characteristics such as the Hack's exponent and coefficient and the fractal dimension. We define two steady-state criteria: a topographic steady state, defined by global, pointwise steady elevation, and a topological steady state defined as the state in which no further reorganization of the drainage network takes place. Analyzing block uplift simulations, we find that the time to achieve either topographic or topological steady state exceeds by an order of magnitude the theoretical response time of the fluvial network. The longevity of the transient state is the result of the area feedback, by which, migration of a divide changes the local contributing area. This change propagates downstream as a slope adjustment, forcing further divide migrations and area change in adjacent tributaries and basins. In order to characterize the evolution of the drainage network on its way to steady state, we define a proxy to steady state elevation, χ, which is also the characteristic parameter of the transient stream power PDE. Through simulations of tectonic tilting we find that reorganization tends to minimize moments of the χ distribution of the landscape and of Δχ across divides.

Spectroscopic evidence for origins of size and support effects on selectivity of Cu nanoparticle dehydrogenation catalysts

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

Witzke, M. E.; Dietrich, P. J.; Ibrahim, M. Y. S.

2016-12-12

Selective dehydrogenation catalysts that produce acetaldehyde from bio-derived ethanol can increase the efficiency of subsequent processes such as C–C coupling over metal oxides to produce 1-butanol or 1,3-butadiene or oxidation to acetic acid. Here, we use in situ X-ray absorption spectroscopy and steady state kinetics experiments to identify Cuδ+ at the perimeter of supported Cu clusters as the active site for esterification and Cu0 surface sites as sites for dehydrogenation. Correlation of dehydrogenation and esterification selectivities to in situ measures of Cu oxidation states show that this relationship holds for Cu clusters over a wide-range of diameters (2–35 nm) andmore » catalyst supports and reveals that dehydrogenation selectivities may be controlled by manipulating either.« less

Steady-state entanglement in levitated optomechanical systems coupled to a higher order excited atomic ensemble

NASA Astrophysics Data System (ADS)

Chen, Aixi; Nie, Wenjie; Li, Ling; Zeng, Wei; Liao, Qinghong; Xiao, Xianbo

2017-11-01

We investigate the steady-state entanglement in an optomechanical system with a levitated dielectric nanosphere and a higher order excited atomic ensemble. The single nanosphere is trapped by an external harmonic dipole trap and coupled to the single-mode cavity field by the effective optomechanical coupling, which depends on the steady-state position of the nanosphere. We show that the steady-state optomechanical entanglement can be generated via the effective optomechanical interaction between the mechanical motion and the cavity mode. Further, these exist an optimal effective cavity detuning that maximizes the optomechanical entanglement. We also analyze in detail the influences of the excitation number of atoms, the radius of the nanosphere and the thermal noise strength on the steady-state optomechanical entanglement. It is found that the steady-state entanglement can be enhanced by increasing the excitation number of atoms and the radius of the nanosphere.

Bridge effects on light harvesting of a DBfA type polymer system

NASA Astrophysics Data System (ADS)

Sun, Sam-Shajing; Hasib, Muhammad; Gavrilenko, Alexander V.; Devan, Joshua; Gavrilenko, Vladimir

2016-09-01

Plastic optoelectronic materials and thin film devices are very attractive in future optical sensor and solar energy applications due to their lightweight, flexible shape, high photon absorption coefficients, low cost, and environmental benefits. In this study, optoelectronic properties of D, D/fA blend, DfA, and a series of DBfA type of conjugated block copolymers has been investigated, where D is a donor type PPV conjugated block, B is a non-conjugated and flexible aliphatic hydrocarbon bridge chain containing different number of aliphatic methylene units, and fA is a fluorinated acceptor type PPV conjugated block. The optical absorptions of the D/fA blend, DfA, and DBfAs are typical overlaps of individual absorptions of D and fA blocks, while the solution steady state photoluminescence (PL) emission of D were quenched to different levels in blends and block copolymers, with DBfAs containing one methylene unit bridge (DB1fA) quenched most. This could be attributed to an intra-molecular photo induced electron transfer or charge separation in DBfA systems. Theoretical first principles study of the equilibrium atomic configuration of DfA reveals the existence of twisting angles between the D and fA blocks in DfA stable states which may account for a less PL quenching of DfA as compared to DB1fA. These results are important for designing and developing high efficiency polymer based optoelectronic systems.

Kinetic and spectroscopic characterization of tungsten-substituted DMSO reductase from Rhodobacter sphaeroides.

PubMed

Pacheco, Josué; Niks, Dimitri; Hille, Russ

2018-03-01

We have examined the kinetic and spectroscopic properties of a tungsten-substituted form of DMSO reductase from Rhodobacter sphaeroides, an enzyme that normally possesses molybdenum. Partial reduction with sodium dithionite yields a well-resolved W(V) EPR signal of the so-called "high-g split" type that exhibits markedly greater g-anisotropy than the corresponding Mo(V) signal of the native form of the enzyme, with the g values shifted to higher magnetic field by as much as Δg ave  = 0.056. Deuteration of the enzyme confirms that the coupled proton is solvent-exchangeable, allowing us to accurately simulate the tungsten hyperfine coupling. Global curve-fitting analysis of UV/vis absorption spectra observed in the course of the reaction of the tungsten-substituted enzyme with sodium dithionite affords a well-defined absorption spectrum for the W(V) species. Surprisingly, the absorption spectrum for this species exhibits significantly larger molar extinction coefficients than either the reduced or the oxidized spectrum. This spectrum, in conjunction with those for fully oxidized W(VI) and fully reduced W(IV) enzyme, has been used to deconvolute the absorption spectra seen in the course of turnover, in the which enzyme is reacted with sodium dithionite and DMSO, demonstrating that the W(V) is an authentic catalytic intermediate that accumulates to approximately 50% of the total enzyme in the steady state.

Customized Steady-State Constraints for Parameter Estimation in Non-Linear Ordinary Differential Equation Models

PubMed Central

Rosenblatt, Marcus; Timmer, Jens; Kaschek, Daniel

2016-01-01

Ordinary differential equation models have become a wide-spread approach to analyze dynamical systems and understand underlying mechanisms. Model parameters are often unknown and have to be estimated from experimental data, e.g., by maximum-likelihood estimation. In particular, models of biological systems contain a large number of parameters. To reduce the dimensionality of the parameter space, steady-state information is incorporated in the parameter estimation process. For non-linear models, analytical steady-state calculation typically leads to higher-order polynomial equations for which no closed-form solutions can be obtained. This can be circumvented by solving the steady-state equations for kinetic parameters, which results in a linear equation system with comparatively simple solutions. At the same time multiplicity of steady-state solutions is avoided, which otherwise is problematic for optimization. When solved for kinetic parameters, however, steady-state constraints tend to become negative for particular model specifications, thus, generating new types of optimization problems. Here, we present an algorithm based on graph theory that derives non-negative, analytical steady-state expressions by stepwise removal of cyclic dependencies between dynamical variables. The algorithm avoids multiple steady-state solutions by construction. We show that our method is applicable to most common classes of biochemical reaction networks containing inhibition terms, mass-action and Hill-type kinetic equations. Comparing the performance of parameter estimation for different analytical and numerical methods of incorporating steady-state information, we show that our approach is especially well-tailored to guarantee a high success rate of optimization. PMID:27243005

Customized Steady-State Constraints for Parameter Estimation in Non-Linear Ordinary Differential Equation Models.

PubMed

Rosenblatt, Marcus; Timmer, Jens; Kaschek, Daniel

2016-01-01

Ordinary differential equation models have become a wide-spread approach to analyze dynamical systems and understand underlying mechanisms. Model parameters are often unknown and have to be estimated from experimental data, e.g., by maximum-likelihood estimation. In particular, models of biological systems contain a large number of parameters. To reduce the dimensionality of the parameter space, steady-state information is incorporated in the parameter estimation process. For non-linear models, analytical steady-state calculation typically leads to higher-order polynomial equations for which no closed-form solutions can be obtained. This can be circumvented by solving the steady-state equations for kinetic parameters, which results in a linear equation system with comparatively simple solutions. At the same time multiplicity of steady-state solutions is avoided, which otherwise is problematic for optimization. When solved for kinetic parameters, however, steady-state constraints tend to become negative for particular model specifications, thus, generating new types of optimization problems. Here, we present an algorithm based on graph theory that derives non-negative, analytical steady-state expressions by stepwise removal of cyclic dependencies between dynamical variables. The algorithm avoids multiple steady-state solutions by construction. We show that our method is applicable to most common classes of biochemical reaction networks containing inhibition terms, mass-action and Hill-type kinetic equations. Comparing the performance of parameter estimation for different analytical and numerical methods of incorporating steady-state information, we show that our approach is especially well-tailored to guarantee a high success rate of optimization.

Existence and instability of steady states for a triangular cross-diffusion system: A computer-assisted proof

NASA Astrophysics Data System (ADS)

Breden, Maxime; Castelli, Roberto

2018-05-01

In this paper, we present and apply a computer-assisted method to study steady states of a triangular cross-diffusion system. Our approach consist in an a posteriori validation procedure, that is based on using a fixed point argument around a numerically computed solution, in the spirit of the Newton-Kantorovich theorem. It allows to prove the existence of various non homogeneous steady states for different parameter values. In some situations, we obtain as many as 13 coexisting steady states. We also apply the a posteriori validation procedure to study the linear stability of the obtained steady states, proving that many of them are in fact unstable.

Low-dimensional Representation of Error Covariance

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.; Todling, Ricardo; Marchesin, Dan

2000-01-01

Ensemble and reduced-rank approaches to prediction and assimilation rely on low-dimensional approximations of the estimation error covariances. Here stability properties of the forecast/analysis cycle for linear, time-independent systems are used to identify factors that cause the steady-state analysis error covariance to admit a low-dimensional representation. A useful measure of forecast/analysis cycle stability is the bound matrix, a function of the dynamics, observation operator and assimilation method. Upper and lower estimates for the steady-state analysis error covariance matrix eigenvalues are derived from the bound matrix. The estimates generalize to time-dependent systems. If much of the steady-state analysis error variance is due to a few dominant modes, the leading eigenvectors of the bound matrix approximate those of the steady-state analysis error covariance matrix. The analytical results are illustrated in two numerical examples where the Kalman filter is carried to steady state. The first example uses the dynamics of a generalized advection equation exhibiting nonmodal transient growth. Failure to observe growing modes leads to increased steady-state analysis error variances. Leading eigenvectors of the steady-state analysis error covariance matrix are well approximated by leading eigenvectors of the bound matrix. The second example uses the dynamics of a damped baroclinic wave model. The leading eigenvectors of a lowest-order approximation of the bound matrix are shown to approximate well the leading eigenvectors of the steady-state analysis error covariance matrix.

Determination of steady state and nonsteady-state glycerol kinetics in humans using deuterium-labeled tracer

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

Beylot, M.; Martin, C.; Beaufrere, B.

1987-04-01

Using deuterium-labeled glycerol as tracer and gas-liquid chromatography-mass spectrometry techniques for the determination of isotopic enrichment, we have developed a simple and ethically acceptable method of determining glycerol appearance rate in humans under steady-state and nonsteady-state conditions. In normal subjects, the appearance rate of glycerol in the post-absorptive state was 2.22 +/- 0.20 mumol X kg-1 X min-1, a value in agreement with those reported in studies with radioactively labeled tracers. The ratio nonesterified fatty acid (NEFA) appearance rate/glycerol appearance rate ranged from 1.95 to 3.40. In insulin-dependent diabetic patients with a mild degree of metabolic control, the appearance ratemore » of glycerol was 2.48 +/- 0.29 mumol X kg-1 X min-1. The volume of distribution of glycerol, determined by the bolus injection technique, was (mean) 0.306 l X kg-1 in normal subjects and 0.308 l X kg-1 in insulin-independent diabetic patients. To evaluate the usefulness of the method for determination of glycerol kinetics in nonsteady-state conditions, we infused six normal subjects with natural glycerol and calculated the isotopically determined glycerol appearance rate using a single compartment model (volume of distribution 0.31 l X kg-1). During these tests, the expected glycerol appearance rates were successively 5.03 +/- 0.33, 7.48 +/- 0.39, 9.94 +/- 0.34, 7.48 +/- 0.39, and 5.03 +/- 0.33 mumol +/- kg-1 X min-1, whereas the corresponding isotopically determined appearance rates were 4.62 +/- 0.45, 6.95 +/- 0.56, 10.85 +/- 0.51, 7.35 +/- 0.34, and 5.28 +/- 0.12 mumol X kg-1 X min-1.« less

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

Excitation energy transfer from the bacteriochlorophyll Soret band to carotenoids in the LH2 light-harvesting complex from Ectothiorhodospira haloalkaliphila is negligible.

PubMed

Razjivin, A P; Lukashev, E P; Kompanets, V O; Kozlovsky, V S; Ashikhmin, A A; Chekalin, S V; Moskalenko, A A; Paschenko, V Z

2017-09-01

Pathways of intramolecular conversion and intermolecular electronic excitation energy transfer (EET) in the photosynthetic apparatus of purple bacteria remain subject to debate. Here we experimentally tested the possibility of EET from the bacteriochlorophyll (BChl) Soret band to the singlet S 2 level of carotenoids using femtosecond pump-probe measurements and steady-state fluorescence excitation and absorption measurements in the near-ultraviolet and visible spectral ranges. The efficiency of EET from the Soret band of BChl to S 2 of the carotenoids in light-harvesting complex LH2 from the purple bacterium Ectothiorhodospira haloalkaliphila appeared not to exceed a few percent.

Generalization of Wilemski-Fixman-Weiss decoupling approximation to the case involving multiple sinks of different sizes, shapes, and reactivities.

PubMed

Uhm, Jesik; Lee, Jinuk; Eun, Changsun; Lee, Sangyoub

2006-08-07

We generalize the Wilemski-Fixman-Weiss decoupling approximation to calculate the transient rate of absorption of point particles into multiple sinks of different sizes, shapes, and reactivities. As an application we consider the case involving two spherical sinks. We obtain a Laplace-transform expression for the transient rate that is in excellent agreement with computer simulations. The long-time steady-state rate has a relatively simple expression, which clearly shows the dependence on the diffusion constant of the particles and on the sizes and reactivities of sinks, and its numerical result is in good agreement with the known exact result that is given in terms of recursion relations.

Studies of bio-mimetic medium of ionic and non-ionic micelles by a simple charge transfer fluorescence probe N,N-dimethylaminonapthyl-(acrylo)-nitrile

NASA Astrophysics Data System (ADS)

Samanta, Anuva; Paul, Bijan Kumar; Guchhait, N.

2011-05-01

In this report we have studied micellization process of anionic, cationic and non-ionic surfactants using N,N-dimethylaminonapthyl-(acrylo)-nitrile (DMANAN) as an external fluorescence probe. Micropolarity, microviscosity, critical micellar concentration of these micelles based on steady state absorption and fluorescence and time resolved emission spectroscopy of the probe DMANAN show that the molecule resides in the micelle-water interface for ionic micelles and in the core for the non-ionic micelle. The effect of variation of pH of the micellar solution as well as fluorescence quenching measurements of DMANAN provide further support for the location of the probe in the micelles.

Contribution of highway capital to industry and national productivity growth

DOT National Transportation Integrated Search

1973-10-01

The report contains the authors initial efforts aimed at extending the steady state freeway model for optimizing freeway traffic flow to a non-steady state model. The steady-state model does not allow reaction to continuously changing conditions whic...

Critical threshold behavior for steady-state internal transport barriers in burning plasmas.

PubMed

García, J; Giruzzi, G; Artaud, J F; Basiuk, V; Decker, J; Imbeaux, F; Peysson, Y; Schneider, M

2008-06-27

Burning tokamak plasmas with internal transport barriers are investigated by means of integrated modeling simulations. The barrier sustainment in steady state, differently from the barrier formation process, is found to be characterized by a critical behavior, and the critical number of the phase transition is determined. Beyond a power threshold, alignment of self-generated and noninductively driven currents occurs and steady state becomes possible. This concept is applied to simulate a steady-state scenario within the specifications of the International Thermonuclear Experimental Reactor.

Ultrafast responses of two V-shaped compounds with a reverse conjugated structural configuration: an investigation of the reason for the enhanced two-photon absorption cross-section

NASA Astrophysics Data System (ADS)

Wang, Yaochuan; Jiang, Yihua; Liu, Dajun; Wang, Yizhuo; Wang, Guiqiu; Hua, Jianli

2018-06-01

To study the effect of the conjugated structural configuration on the two-photon absorption (TPA) properties of V-shaped compounds, two 1,3,5-triazine-based compounds with the same electron donor (D) and acceptor (A) connected in a reverse-conjugated structural configuration ( T02: D-π-A-π-D; R02: A-π-D-π-A) were systematically investigated using steady-state and transient absorption spectroscopy, open-aperture Z-scan measurements, and two-photon fluorescence measurements. The TPA cross-section of compound R02 connected in a A-π-D-π-A-conjugated structural configuration with triphenylamine as the central core was 203 GM, which showed a 2.3-fold enhancement compared with compound T02 connected in a reverse D-π-A-π-D-conjugated structural configuration (90 GM, with 1,3,5-triazine as the central core). This result indicates that the conjugated structural configuration plays an important role in the TPA properties. A two-color pump-probe experiment was used to investigate the effect of the conjugated structural configuration on the excited state and intra-molecular charge transfer (ICT) properties of these V-shaped compounds. The formation and relaxation lifetimes of the ICT state were determined. The results indicate that the electron-donating/accepting strength of the central group, which serves as a communal group for two D-π-A subunits, was confirmed to be a key role to the overall effect of the ICT for V-shaped compounds. These ultrafast dynamic results are in agreement with the TPA properties.

A Novel Chronic Opioid Monitoring Tool to Assess Prescription Drug Steady State Levels in Oral Fluid.

PubMed

Shaparin, Naum; Mehta, Neel; Kunkel, Frank; Stripp, Richard; Borg, Damon; Kolb, Elizabeth

2017-11-01

Interpretation limitations of urine drug testing and the invasiveness of blood toxicology have motivated the desire for the development of simpler methods to assess biologically active drug levels on an individualized patient basis. Oral fluid is a matrix well-suited for the challenge because collections are based on simple noninvasive procedures and drug concentrations better correlate to blood drug levels as oral fluid is a filtrate of the blood. Well-established pharmacokinetic models were utilized to generate oral fluid steady state concentration ranges to assess the interpretive value of the alternative matrix to monitor steady state plasma oxycodone levels. Paired oral fluid and plasma samples were collected from patients chronically prescribed oxycodone and quantitatively analyzed by liquid chromatography tandem mass spectrometry. Steady state plasma concentration ranges were calculated for each donor and converted to an equivalent range in oral fluid. Measured plasma and oral fluid oxycodone concentrations were compared with respective matrix-matched steady state ranges, using each plasma steady state classification as the control. A high degree of correlation was observed between matrices when classifying donors according to expected steady state oxycodone concentration. Agreement between plasma and oral fluid steady state classifications was observed in 75.6% of paired samples. This study supports novel application of basic pharmacokinetic knowledge to the pain management industry, simplifying and improving individualized drug monitoring and risk assessment through the use of oral fluid drug testing. Many benefits of established therapeutic drug monitoring in plasma can be realized in oral fluid for patients chronically prescribed oxycodone at steady state. © 2017 American Academy of Pain Medicine. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com

A Data Filter for Identifying Steady-State Operating Points in Engine Flight Data for Condition Monitoring Applications

NASA Technical Reports Server (NTRS)

Simon, Donald L.; Litt, Jonathan S.

2010-01-01

This paper presents an algorithm that automatically identifies and extracts steady-state engine operating points from engine flight data. It calculates the mean and standard deviation of select parameters contained in the incoming flight data stream. If the standard deviation of the data falls below defined constraints, the engine is assumed to be at a steady-state operating point, and the mean measurement data at that point are archived for subsequent condition monitoring purposes. The fundamental design of the steady-state data filter is completely generic and applicable for any dynamic system. Additional domain-specific logic constraints are applied to reduce data outliers and variance within the collected steady-state data. The filter is designed for on-line real-time processing of streaming data as opposed to post-processing of the data in batch mode. Results of applying the steady-state data filter to recorded helicopter engine flight data are shown, demonstrating its utility for engine condition monitoring applications.

Influence of Ambient Humidity on the Voltage Response of Ionic Polymer-Metal Composite Sensor.

PubMed

Zhu, Zicai; Horiuchi, Tetsuya; Kruusamäe, Karl; Chang, Longfei; Asaka, Kinji

2016-03-31

Electrical potential based on ion migration exists not only in natural systems but also in ionic polymer materials. In order to investigate the influence of ambient humidity on voltage response, classical Au-Nafion IPMC was chosen as the reference sample. Voltage response under a bending deformation was measured in two ways: first, continuous measurement of voltage response in the process of absorption and desorption of water to study the tendency of voltage variation at all water states; second, measurements at multiple fixed ambient humidity levels to characterize the process of voltage response quantitatively. Ambient humidity influences the voltage response mainly by varying water content in ionic polymer. Under a step bending, the amplitude of initial voltage peak first increases and then decreases as the ambient humidity and the inherent water content decrease. This tendency is explained semiquantitatively by mass storage capacity related to the stretchable state of the Nafion polymer network. Following the initial peak, the voltage shows a slow decay to a steady state, which is first characterized in this paper. The relative voltage decay during the steady state always decreases as the ambient humidity is lowered. It is ascribed to progressive increase of the ratio between the water molecules in the cation hydration shell to the free water. Under sinusoidal mechanical bending excitation in the range of 0.1-10 Hz, the voltage magnitude increases with frequency at high ambient humidity but decreases with frequency at low ambient humidity. The relationship is mainly controlled by the voltage decay effect and the response speed.

Tailored parameter optimization methods for ordinary differential equation models with steady-state constraints.

PubMed

Fiedler, Anna; Raeth, Sebastian; Theis, Fabian J; Hausser, Angelika; Hasenauer, Jan

2016-08-22

Ordinary differential equation (ODE) models are widely used to describe (bio-)chemical and biological processes. To enhance the predictive power of these models, their unknown parameters are estimated from experimental data. These experimental data are mostly collected in perturbation experiments, in which the processes are pushed out of steady state by applying a stimulus. The information that the initial condition is a steady state of the unperturbed process provides valuable information, as it restricts the dynamics of the process and thereby the parameters. However, implementing steady-state constraints in the optimization often results in convergence problems. In this manuscript, we propose two new methods for solving optimization problems with steady-state constraints. The first method exploits ideas from optimization algorithms on manifolds and introduces a retraction operator, essentially reducing the dimension of the optimization problem. The second method is based on the continuous analogue of the optimization problem. This continuous analogue is an ODE whose equilibrium points are the optima of the constrained optimization problem. This equivalence enables the use of adaptive numerical methods for solving optimization problems with steady-state constraints. Both methods are tailored to the problem structure and exploit the local geometry of the steady-state manifold and its stability properties. A parameterization of the steady-state manifold is not required. The efficiency and reliability of the proposed methods is evaluated using one toy example and two applications. The first application example uses published data while the second uses a novel dataset for Raf/MEK/ERK signaling. The proposed methods demonstrated better convergence properties than state-of-the-art methods employed in systems and computational biology. Furthermore, the average computation time per converged start is significantly lower. In addition to the theoretical results, the analysis of the dataset for Raf/MEK/ERK signaling provides novel biological insights regarding the existence of feedback regulation. Many optimization problems considered in systems and computational biology are subject to steady-state constraints. While most optimization methods have convergence problems if these steady-state constraints are highly nonlinear, the methods presented recover the convergence properties of optimizers which can exploit an analytical expression for the parameter-dependent steady state. This renders them an excellent alternative to methods which are currently employed in systems and computational biology.

Fano Effect and Quantum Entanglement in Hybrid Semiconductor Quantum Dot-Metal Nanoparticle System.

PubMed

He, Yong; Zhu, Ka-Di

2017-06-20

In this paper, we review the investigation for the light-matter interaction between surface plasmon field in metal nanoparticle (MNP) and the excitons in semiconductor quantum dots (SQDs) in hybrid SQD-MNP system under the full quantum description. The exciton-plasmon interaction gives rise to the modified decay rate and the exciton energy shift which are related to the exciton energy by using a quantum transformation method. We illustrate the responses of the hybrid SQD-MNP system to external field, and reveal Fano effect shown in the absorption spectrum. We demonstrate quantum entanglement between two SQD mediated by surface plasmon field. In the absence of a laser field, concurrence of quantum entanglement will disappear after a few ns. If the laser field is present, the steady states appear, so that quantum entanglement produced will reach a steady-state entanglement. Because one of all optical pathways to induce Fano effect refers to the generation of quantum entangled states, It is shown that the concurrence of quantum entanglement can be obtained by observation for Fano effect. In a hybrid system including two MNP and a SQD, because the two Fano quantum interference processes share a segment of all optical pathways, there is correlation between the Fano effects of the two MNP. The investigations for the light-matter interaction in hybrid SQD-MNP system can pave the way for the development of the optical processing devices and quantum information based on the exciton-plasmon interaction.

Fano Effect and Quantum Entanglement in Hybrid Semiconductor Quantum Dot-Metal Nanoparticle System

PubMed Central

He, Yong; Zhu, Ka-Di

2017-01-01

In this paper, we review the investigation for the light-matter interaction between surface plasmon field in metal nanoparticle (MNP) and the excitons in semiconductor quantum dots (SQDs) in hybrid SQD-MNP system under the full quantum description. The exciton-plasmon interaction gives rise to the modified decay rate and the exciton energy shift which are related to the exciton energy by using a quantum transformation method. We illustrate the responses of the hybrid SQD-MNP system to external field, and reveal Fano effect shown in the absorption spectrum. We demonstrate quantum entanglement between two SQD mediated by surface plasmon field. In the absence of a laser field, concurrence of quantum entanglement will disappear after a few ns. If the laser field is present, the steady states appear, so that quantum entanglement produced will reach a steady-state entanglement. Because one of all optical pathways to induce Fano effect refers to the generation of quantum entangled states, It is shown that the concurrence of quantum entanglement can be obtained by observation for Fano effect. In a hybrid system including two MNP and a SQD, because the two Fano quantum interference processes share a segment of all optical pathways, there is correlation between the Fano effects of the two MNP. The investigations for the light-matter interaction in hybrid SQD-MNP system can pave the way for the development of the optical processing devices and quantum information based on the exciton-plasmon interaction. PMID:28632165

Dependence of intestinal glucose absorption on sodium, studied with a new arterial infusion technique

PubMed Central

Fisher, R. B.; Gardner, M. L. G.

1974-01-01

1. A new preparation of isolated rat jejunum plus ileum (ca. 100 cm) is described in which a saline infusate is pumped into the superior mesenteric artery, the superior mesenteric vein having been ligated. 2. The arterial infusate washes out the tissue spaces: the lumen is perfused in a single pass with a segmented flow as by Fisher & Gardner (1974). 3. At an arterial infusion rate of 3 ml./min, steady states are set up in the tissue fluid within 10-15 min: the compositions of the fluids bathing both sides of the mucosa can therefore be controlled. 4. The rate of glucose absorption from the lumen falls only gradually when the luminal sodium is replaced by choline abruptly while the tissue fluid sodium is maintained at 144 m-equiv/l. by arterial infusion. 5. The rate of glucose absorption from the lumen is unaffected by replacement of sodium in the arterial infusate by choline. 6. Ouabain (10-4 M) in an arterial infusate containing sodium 144 m-equiv/l. causes inhibition of glucose and water absorption from the lumen. There is no effect of ouabain when the arterial infusate contains sodium, 0 or 72 m-equiv/l. 7. Arterial ouabain does not reverse the effects of depletion of luminal sodium. Simultaneous removal of luminal sodium and application of arterial ouabain causes faster inhibition of glucose absorption than does either treatment alone. 8. Glucose absorption is more likely to depend on rate of efflux of sodium from mucosal cell to tissue fluid than on a sodium gradient at the brush border or on intracellular sodium concentration. PMID:4422318

Mass balance approaches for estimating the intestinal absorption and metabolism of peptides and analogues: theoretical development and applications

NASA Technical Reports Server (NTRS)

Sinko, P. J.; Leesman, G. D.; Amidon, G. L.

1993-01-01

A theoretical analysis for estimating the extent of intestinal peptide and peptide analogue absorption was developed on the basis of a mass balance approach that incorporates convection, permeability, and reaction. The macroscopic mass balance analysis (MMBA) was extended to include chemical and enzymatic degradation. A microscopic mass balance analysis, a numerical approach, was also developed and the results compared to the MMBA. The mass balance equations for the fraction of a drug absorbed and reacted in the tube were derived from the general steady state mass balance in a tube: [formula: see text] where M is mass, z is the length of the tube, R is the tube radius, Pw is the intestinal wall permeability, kr is the reaction rate constant, C is the concentration of drug in the volume element over which the mass balance is taken, VL is the volume of the tube, and vz is the axial velocity of drug. The theory was first applied to the oral absorption of two tripeptide analogues, cefaclor (CCL) and cefatrizine (CZN), which degrade and dimerize in the intestine. Simulations using the mass balance equations, the experimental absorption parameters, and the literature stability rate constants yielded a mean estimated extent of CCL (250-mg dose) and CZN (1000-mg dose) absorption of 89 and 51%, respectively, which was similar to the mean extent of absorption reported in humans (90 and 50%). It was proposed previously that 15% of the CCL dose spontaneously degraded systematically; however, our simulations suggest that significant CCL degradation occurs (8 to 17%) presystemically in the intestinal lumen.(ABSTRACT TRUNCATED AT 250 WORDS).

40 CFR 1039.505 - How do I test engines using steady-state duty cycles, including ramped-modal testing?

Code of Federal Regulations, 2010 CFR

2010-07-01

...-state duty cycles, including ramped-modal testing? 1039.505 Section 1039.505 Protection of Environment... duty cycles, including ramped-modal testing? This section describes how to test engines under steady-state conditions. In some cases, we allow you to choose the appropriate steady-state duty cycle for an...

Could Flaring Stars Change Our Views of Their Planets?

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-12-01

As the exoplanet count continues to increase, we are making progressively more measurements of exoplanets outer atmospheres through spectroscopy. A new study, however, reveals that these measurements may be influenced by the planets hosts.Spectra From TransitsExoplanet spectra taken as they transit their hosts can tell us about the chemical compositions of their atmospheres. Detailed spectroscopic measurements of planet atmospheres should become even more common with the next generation of missions, such as the James Webb Space Telescope (JWST), or Planetary Transits and Oscillations of Stars (PLATO).But is the spectrum that we measure in the brief moment of a planets transit necessarily representative of its spectrum all of the time? A team of scientists led by Olivia Venot (University of Leuven in Belgium) argue that it might not be, due to the influence of the planets stellar host.Atmospheric composition of a planet before flare impacts (dotted lines), during the steady state reached after a flare impact (dashed lines), and during the steady state reached after a second flare impact (solid lines). [Venot et al. 2016]The team suggests that when a hosts flares impact upon a planets atmosphere (especially likely in the case of active M-dwarfs that commonly harbor planetary systems), this activity may modify the chemical composition of the planets atmosphere. This would in turn alter the spectrum that we measure from the exoplanet.Modeling AtmospheresVenot and collaborators set out to test the effect of stellar flares on exoplanet atmospheres by modeling the atmospheres of two hypothetical planets orbiting the star AD Leo an active and flaring M dwarf located roughly 16 light-years away at two different distances. The team then examined what happened to the atmospheres, and to the resulting spectra that we would observe, when they were hit with a stellar flare typical of AD Leo.The difference in relative absorption between the initial steady-state and the instantaneous transmission spectra, obtained during the different phases of the flare. The left plot examines the impulsive and gradual phases, when the flare first impacts and then starts to pass. The peak photon flux occurs at 912 seconds. The right plot examines the return to a steady state over 1012 seconds, or roughly 30,000 years. [Adapted from Venot et al. 2016]The authors found that the planets atmospheric compositions were significantly affected by the incoming stellar flare. The sudden increase in incoming photon flux changed the chemical abundances of several important molecular species, like hydrogen and ammonia which resulted in changes to the spectrum that would be observed during the planets transit.Permanent ImpactIn addition to demonstrating that a planets atmospheric composition changes during and immediately after a flare impact, Venot and collaborators show that the chemical alteration isnt temporary: the planets atmosphere doesnt fully return to its original state after the flare passes. Instead, the authors find that it settles to a new steady-state composition that can be significantly different from the pre-flare composition.For a planet that is repeatedly hit by stellar flares, therefore, its atmospheric composition never actually settles to a steady state. Instead it is continually and permanently modified by its hosts activity.Venot and collaborators demonstrate that the variations of planetary spectra due to stellar flares should be easily detectable by future missions like JWST. We must therefore be careful about the conclusions we draw about planetary atmospheres from measurements of their spectra.CitationOlivia Venot et al 2016 ApJ 830 77. doi:10.3847/0004-637X/830/2/77

The Markov process admits a consistent steady-state thermodynamic formalism

NASA Astrophysics Data System (ADS)

Peng, Liangrong; Zhu, Yi; Hong, Liu

2018-01-01

The search for a unified formulation for describing various non-equilibrium processes is a central task of modern non-equilibrium thermodynamics. In this paper, a novel steady-state thermodynamic formalism was established for general Markov processes described by the Chapman-Kolmogorov equation. Furthermore, corresponding formalisms of steady-state thermodynamics for the master equation and Fokker-Planck equation could be rigorously derived in mathematics. To be concrete, we proved that (1) in the limit of continuous time, the steady-state thermodynamic formalism for the Chapman-Kolmogorov equation fully agrees with that for the master equation; (2) a similar one-to-one correspondence could be established rigorously between the master equation and Fokker-Planck equation in the limit of large system size; (3) when a Markov process is restrained to one-step jump, the steady-state thermodynamic formalism for the Fokker-Planck equation with discrete state variables also goes to that for master equations, as the discretization step gets smaller and smaller. Our analysis indicated that general Markov processes admit a unified and self-consistent non-equilibrium steady-state thermodynamic formalism, regardless of underlying detailed models.

Measurement of fluorophore concentrations and fluorescence quantum yield in tissue-simulating phantoms using three diffusion models of steady-state spatially resolved fluorescence.

PubMed

Diamond, Kevin R; Farrell, Thomas J; Patterson, Michael S

2003-12-21

Steady-state diffusion theory models of fluorescence in tissue have been investigated for recovering fluorophore concentrations and fluorescence quantum yield. Spatially resolved fluorescence, excitation and emission reflectance Carlo simulations, and measured using a multi-fibre probe on tissue-simulating phantoms containing either aluminium phthalocyanine tetrasulfonate (AlPcS4), Photofrin meso-tetra-(4-sulfonatophenyl)-porphine dihydrochloride The accuracy of the fluorophore concentration and fluorescence quantum yield recovered by three different models of spatially resolved fluorescence were compared. The models were based on: (a) weighted difference of the excitation and emission reflectance, (b) fluorescence due to a point excitation source or (c) fluorescence due to a pencil beam excitation source. When literature values for the fluorescence quantum yield were used for each of the fluorophores, the fluorophore absorption coefficient (and hence concentration) at the excitation wavelength (mu(a,x,f)) was recovered with a root-mean-square accuracy of 11.4% using the point source model of fluorescence and 8.0% using the more complicated pencil beam excitation model. The accuracy was calculated over a broad range of optical properties and fluorophore concentrations. The weighted difference of reflectance model performed poorly, with a root-mean-square error in concentration of about 50%. Monte Carlo simulations suggest that there are some situations where the weighted difference of reflectance is as accurate as the other two models, although this was not confirmed experimentally. Estimates of the fluorescence quantum yield in multiple scattering media were also made by determining mu(a,x,f) independently from the fitted absorption spectrum and applying the various diffusion theory models. The fluorescence quantum yields for AlPcS4 and TPPS4 were calculated to be 0.59 +/- 0.03 and 0.121 +/- 0.001 respectively using the point source model, and 0.63 +/- 0.03 and 0.129 +/- 0.002 using the pencil beam excitation model. These results are consistent with published values.

Computed tomography measurement of gaseous fuel concentration by infrared laser light absorption

NASA Astrophysics Data System (ADS)

Kawazoe, Hiromitsu; Inagaki, Kazuhisa; Emi, Y.; Yoshino, Fumio

1997-11-01

A system to measure gaseous hydrocarbon distributions was devised, which is based on IR light absorption by C-H stretch mode of vibration and computed tomography method. It is called IR-CT method in the paper. Affection of laser light power fluctuation was diminished by monitoring source light intensity by the second IR light detector. Calibration test for methane fuel was carried out to convert spatial data of line absorption coefficient into quantitative methane concentration. This system was applied to three flow fields. The first is methane flow with lifted flame which is generated by a gourd-shaped fuel nozzle. Feasibility of the IR-CT method was confirmed through the measurement. The second application is combustion field with diffusion flame. Calibration to determine absorptivity was undertaken, and measured line absorption coefficient was converted spatial fuel concentration using corresponding temperature data. The last case is modeled in cylinder gas flow of internal combustion engine, where gaseous methane was led to the intake valve in steady flow state. The fuel gas flow simulates behavior of gaseous gasoline which is evaporated at intake valve tulip. Computed tomography measurement of inner flow is essentially difficult because of existence of surrounding wall. In this experiment, IR laser beam was led to planed portion by IR light fiber. It is found that fuel convection by airflow takes great part in air-fuel mixture formation and the developed IR-CT system to measure fuel concentration is useful to analyze air-fuel mixture formation process and to develop new combustors.

Stabilization of a spatially uniform steady state in two systems exhibiting Turing patterns

NASA Astrophysics Data System (ADS)

Konishi, Keiji; Hara, Naoyuki

2018-05-01

This paper deals with the stabilization of a spatially uniform steady state in two coupled one-dimensional reaction-diffusion systems with Turing instability. This stabilization corresponds to amplitude death that occurs in a coupled system with Turing instability. Stability analysis of the steady state shows that stabilization does not occur if the two reaction-diffusion systems are identical. We derive a sufficient condition for the steady state to be stable for any length of system and any boundary conditions. Our analytical results are supported with numerical examples.

Pseudo-compressibility methods for the incompressible flow equations

NASA Technical Reports Server (NTRS)

Turkel, Eli; Arnone, A.

1993-01-01

Preconditioning methods to accelerate convergence to a steady state for the incompressible fluid dynamics equations are considered. The analysis relies on the inviscid equations. The preconditioning consists of a matrix multiplying the time derivatives. Thus the steady state of the preconditioned system is the same as the steady state of the original system. The method is compared to other types of pseudo-compressibility. For finite difference methods preconditioning can change and improve the steady state solutions. An application to viscous flow around a cascade with a non-periodic mesh is presented.

Quantum thermodynamics of nanoscale steady states far from equilibrium

NASA Astrophysics Data System (ADS)

Taniguchi, Nobuhiko

2018-04-01

We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.

Integration of Steady-State and Temporal Gene Expression Data for the Inference of Gene Regulatory Networks

PubMed Central

Wang, Yi Kan; Hurley, Daniel G.; Schnell, Santiago; Print, Cristin G.; Crampin, Edmund J.

2013-01-01

We develop a new regression algorithm, cMIKANA, for inference of gene regulatory networks from combinations of steady-state and time-series gene expression data. Using simulated gene expression datasets to assess the accuracy of reconstructing gene regulatory networks, we show that steady-state and time-series data sets can successfully be combined to identify gene regulatory interactions using the new algorithm. Inferring gene networks from combined data sets was found to be advantageous when using noisy measurements collected with either lower sampling rates or a limited number of experimental replicates. We illustrate our method by applying it to a microarray gene expression dataset from human umbilical vein endothelial cells (HUVECs) which combines time series data from treatment with growth factor TNF and steady state data from siRNA knockdown treatments. Our results suggest that the combination of steady-state and time-series datasets may provide better prediction of RNA-to-RNA interactions, and may also reveal biological features that cannot be identified from dynamic or steady state information alone. Finally, we consider the experimental design of genomics experiments for gene regulatory network inference and show that network inference can be improved by incorporating steady-state measurements with time-series data. PMID:23967277

Oxidation and Volatilization of Silica-Formers in Water Vapor

NASA Technical Reports Server (NTRS)

Opila, E. J.; Gray, Hugh R. (Technical Monitor)

2002-01-01

At high temperatures SiC and Si3N4 react with water vapor to form a silica scale. Silica scales also react with water vapor to form a volatile Si(OH)4 species. These simultaneous reactions, one forming silica and the other removing silica, are described by paralinear kinetics. A steady state, in which these reactions occur at the same rate, is eventually achieved, After steady state is achieved, the oxide found on the surface is a constant thickness and recession of the underlying material occurs at a linear rate. The steady state oxide thickness, the time to achieve steady state, and the steady state recession rate can all be described in terms of the rate constants for the oxidation and volatilization reactions. In addition, the oxide thickness, the time to achieve steady state, and the recession rate can also be determined from parameters that describe a water vapor-containing environment. Accordingly, maps have been developed to show these steady state conditions as a function of reaction rate constants, pressure, and gas velocity. These maps can be used to predict the behavior of silica formers in water-vapor containing environments such as combustion environments. Finally, these maps are used to explore the limits of the paralinear oxidation model for SiC and Si3N4

X-Ray Spectral Analysis of the Steady States of GRS1915+105

NASA Astrophysics Data System (ADS)

Peris, Charith S.; Remillard, Ronald A.; Steiner, James F.; Vrtilek, Saeqa D.; Varnière, Peggy; Rodriguez, Jerome; Pooley, Guy

2016-05-01

We report on the X-ray spectral behavior within the steady states of GRS1915+105. Our work is based on the full data set of the source obtained using the Proportional Counter Array (PCA) on the Rossi X-ray Timing Explorer (RXTE) and 15 GHz radio data obtained using the Ryle Telescope. The steady observations within the X-ray data set naturally separated into two regions in the color-color diagram and we refer to these regions as steady-soft and steady-hard. GRS1915+105 displays significant curvature in the coronal component in both the soft and hard data within the RXTE/PCA bandpass. A majority of the steady-soft observations displays a roughly constant inner disk radius ({R}{{in}}), while the steady-hard observations display an evolving disk truncation which is correlated to the mass accretion rate through the disk. The disk flux and coronal flux are strongly correlated in steady-hard observations and very weakly correlated in the steady-soft observations. Within the steady-hard observations, we observe two particular circumstances when there are correlations between the coronal X-ray flux and the radio flux with log slopes η ˜ 0.68+/- 0.35 and η ˜ 1.12+/- 0.13. They are consistent with the upper and lower tracks of Gallo et al. (2012), respectively. A comparison of the model parameters to the state definitions shows that almost all of the steady-soft observations match the criteria of either a thermal or steep power-law state, while a large portion of the steady-hard observations match the hard-state criteria when the disk fraction constraint is neglected.

Self-organization of cosmic radiation pressure instability

NASA Technical Reports Server (NTRS)

Hogan, Craig J.

1991-01-01

Under some circumstances the absorption of radiation momentum by an absorbing medium opens the possibility of a dynamical instability, sometimes called 'mock gravity'. Here, a simplified abstract model is studied in which the radiation source is assumed to remain spatially uniform, there is no reabsorption or reradiated light, and no forces other than radiative pressure act on the absorbing medium. It is shown that this model displays the unique feature of being not only unstable, but also self-organizing. The structure approaches a statistical dynamical steady state which is almost independent of initial conditions. In this saturated state the absorbers are concentrated in thin walls around empty bubbles; as the instability develops the big bubbles get bigger and the small ones get crushed and disappear. A linear analysis shows that to first order the thin walls are indeed stable structures. It is speculated that this instability may play a role in forming cosmic large-scale structure.

Terahertz Measurement of the Water Content Distribution in Wood Materials

NASA Astrophysics Data System (ADS)

Bensalem, M.; Sommier, A.; Mindeguia, J. C.; Batsale, J. C.; Pradere, C.

2018-02-01

Recently, THz waves have been shown to be an effective technique for investigating the water diffusion within porous media, such as biomaterial or insulation materials. This applicability is due to the sufficient resolution for such applications and the safe levels of radiation. This study aims to achieve contactless absolute water content measurements at a steady state case in semi-transparent solids (wood) using a transmittance THz wave range setup. First, a calibration method is developed to validate an analytical model based on the Beer-Lambert law, linking the absorption coefficient, the density of the solid, and its water content. Then, an estimation of the water content on a local scale in a transient-state case (drying) is performed. This study shows that THz waves are an effective contactless, safe, and low-cost technique for the measurement of water content in a porous medium, such as wood.

Analysis methods and recent advances in nonlinear pharmacokinetics from in vitro through in loci to in vivo.

PubMed

Yamaoka, Kiyoshi; Takakura, Yoshinobu

2004-12-01

An attempt has been made to review the nonlinearities in the disposition in vitro, in situ, in loci and in vivo mainly from a theoretical point of view. Parallel Michaelis-Menten and linear (first-order) eliminations are often observed in the cellular uptake, metabolism and efflux of drugs. The well-stirred and parallel-tube models are mainly adopted under steady-state conditions in perfusion experiments, whereas distribution, tank-in-series and dispersion models are often used under nonsteady-state conditions with a pulse input. The analysis of the nonlinear local disposition in loci is reviewed from two points of view, namely an indirect method involving physiologically based pharmacokinetics (PBPK) and a direct (two or three samplings) method using live animals. The nonlinear global pharmacokinetics in vivo is reviewed with regard to absorption, elimination (metabolism and excretion) and distribution.

Core Perylene Diimide Designs via Direct Bay- and ortho-(Poly)trifluoromethylation: Synthesis, Isolation, X-Ray Structures, Optical and Electronic Properties

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

Clikeman, Tyler T.; Bukovsky, Eric V.; Wang, Xue-Bin

2015-09-22

We developed an efficient solvent- and catalyst-free direct polytrifluoromethylation of solid perylene-3,4,9,10-tetracarboxylic dianhydride that produced a new family of (poly)perfluoroalkyl bay- and ortho-substituted PDIs with two different imide substituents. Direct hydrogen substitution with CN group led to the synthesis of a cyanated perfluoroalkyl PDI derivative for the first time. Absorption, steady-state and time-resolved emission, X-ray diffraction, electrochemical, and gas-phase electron affinity data allowed for systematic studies of substitution effects at bay, ortho, and imide positions in the new PDIs. Solid-state packing showed remarkable variations in the intermolecular interactions that are important for charge transport and photophysical properties. Moreover, analysis ofmore » the electrochemical data for 143 electron poor PDIs, including newly reported compounds, revealed some general trends and peculiar effects from substituting electron-withdrawing groups at all three positions.« less

Core Perylene Diimide Designs via Direct Bay and Ortho (Poly)trifluoromethylation: Synthesis, Isolation, X-ray Structures, Optical and Electronic Properties

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

Clikeman, Tyler T.; Bukovsky, Eric V.; Wang, Xue B.

2015-09-22

We developed an efficient solvent- and catalyst-free direct polytrifluoromethylation of solid perylene-3,4,9,10-tetracarboxylic dianhydride that produced a new family of (poly)perfluoroalkyl bay and ortho substituted PDIs with two different imide substituents. Direct hydrogen substitution with CN group led to the synthesis of a cyanated perfluoroalkyl PDI derivative for the first time. Absorption, steady-state and time-resolved emission, X-ray diffraction, electrochemical, and gas-phase electron affinity data allowed for systematic studies of substitution effects at bay, ortho, and imide positions in the new PDIs. Solid-state packing showed remarkable variations in the intermolecular interactions that are important for charge transport and photophysical properties. Analysis ofmore » the electrochemical data for 143 electron poor PDIs, including newly reported compounds, revealed some general trends and peculiar effects of electron withdrawing group substitution at all three positions.« less

40 CFR 1048.505 - How do I test engines using steady-state duty cycles, including ramped-modal testing?

Code of Federal Regulations, 2010 CFR

2010-07-01

...-state duty cycles, including ramped-modal testing? 1048.505 Section 1048.505 Protection of Environment... SPARK-IGNITION ENGINES Test Procedures § 1048.505 How do I test engines using steady-state duty cycles... some cases, we allow you to choose the appropriate steady-state duty cycle for an engine. In these...

Assemblies of Boron Dipyrromethene/Porphyrin, Phthalocyanine, and C60 Moieties as Artificial Models of Photosynthesis: Synthesis, Supramolecular Interactions, and Photophysical Studies.

PubMed

Chen, Xiao-Fei; El-Khouly, Mohamed E; Ohkubo, Kei; Fukuzumi, Shunichi; Ng, Dennis K P

2018-03-12

A series of light-harvesting conjugates based on a zinc(II) phthalocyanine core with either two or four boron dipyrromethene (BODIPY) or porphyrin units have been synthesized and characterized. The conjugation of BODIPY/porphyrin units can extend the absorptions of the phthalocyanine core to cover most of the visible region. Upon addition of an imidazole-substituted C 60 (C 60 Im), it can axially bind to the zinc(II) center of the phthalocyanine core through metal-ligand interactions. The resulting complexes form photosynthetic antenna-reaction center mimics in which the BODIPY/porphyrin units serve as the antennas to capture the light and transfer the energy to the phthalocyanine core by efficient excitation energy transfer. The excited phthalocyanine is then quenched by the axially bound C 60 Im moiety by electron transfer, which has been supported by computational studies. The photoinduced processes of the assemblies have been studied in detail by various steady-state and time-resolved spectroscopic methods. By femtosecond transient absorption spectroscopic studies, the lifetimes of the charge-separated state of the bis(BODIPY) and bis(porphyrin) systems have been determined to be 3.2 and 4.0 ns, respectively. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct detection of the triphenylpyrylium-derived short-lived intermediates in the photocatalyzed degradation of acetaminophen, acetamiprid, caffeine and carbamazepine.

PubMed

Martinez-Haya, R; Gomis, J; Arques, A; Amat, A M; Miranda, M A; Marin, M L

2017-09-09

Advanced oxidation processes are useful methodologies to accomplish abatement of contaminants; however, elucidation of the reaction mechanisms is hampered by the difficult detection of the short-lived primary key species involved in the photocatalytic processes. Nevertheless, herein the combined use of an organic photocatalyst such as triphenylpyrylium (TPP + ) and photophysical techniques based on emission and absorption spectroscopy allowed monitoring the photocatalyst-derived short-lived intermediates. This methodology has been applied to the photocatalyzed degradation of different pollutants, such as acetaminophen, acetamiprid, caffeine and carbamazepine. First, photocatalytic degradation of a mixture of the pollutants showed that acetaminophen was the most easily photodegraded, followed by carbamazepine and caffeine, being the abatement of acetamiprid almost negligible. This process was accompanied by mineralization, as demonstrated by trapping of carbon dioxide using barium hydroxide. Then, emission spectroscopy measurements (steady-state and time-resolved fluorescence) allowed demonstrating quenching of the singlet excited state of TPP + . Laser flash photolysis experiments with absorption detection showed that oxidation of contaminants is accompanied by TPP + reduction, with formation of a pyranyl radical (TPP), that constituted a fingerprint of the redox nature of the occurring process. The relative amounts of TPP detected was also correlated with the efficiency of the photodegradation process. Copyright © 2017 Elsevier B.V. All rights reserved.

Direct detection of the triphenylpyrylium-derived short-lived intermediates in the photocatalyzed degradation of acetaminophen, acetamiprid, caffeine and carbamazepine.

PubMed

Martinez-Haya, R; Gomis, J; Arques, A; Amat, A M; Miranda, M A; Marin, M L

2018-08-15

Advanced oxidation processes are useful methodologies to accomplish abatement of contaminants; however, elucidation of the reaction mechanisms is hampered by the difficult detection of the short-lived primary key species involved in the photocatalytic processes. Nevertheless, herein the combined use of an organic photocatalyst such as triphenylpyrylium (TPP + ) and photophysical techniques based on emission and absorption spectroscopy allowed monitoring the photocatalyst-derived short-lived intermediates. This methodology has been applied to the photocatalyzed degradation of different pollutants, such as acetaminophen, acetamiprid, caffeine and carbamazepine. First, photocatalytic degradation of a mixture of the pollutants showed that acetaminophen was the most easily photodegraded, followed by carbamazepine and caffeine, being the abatement of acetamiprid almost negligible. This process was accompanied by mineralization, as demonstrated by trapping of carbon dioxide using barium hydroxide. Then, emission spectroscopy measurements (steady-state and time-resolved fluorescence) allowed demonstrating quenching of the singlet excited state of TPP + . Laser flash photolysis experiments with absorption detection showed that oxidation of contaminants is accompanied by TPP + reduction, with formation of a pyranyl radical (TPP), that constituted a fingerprint of the redox nature of the occurring process. The relative amounts of TPP detected was also correlated with the efficiency of the photodegradation process. Copyright © 2018. Published by Elsevier B.V.

Au-rich filamentary behavior and associated subband gap optical absorption in hyperdoped Si

NASA Astrophysics Data System (ADS)

Yang, W.; Akey, A. J.; Smillie, L. A.; Mailoa, J. P.; Johnson, B. C.; McCallum, J. C.; Macdonald, D.; Buonassisi, T.; Aziz, M. J.; Williams, J. S.

2017-12-01

Au-hyperdoped Si, synthesized by ion implantation and pulsed laser melting, is known to exhibit a strong sub-band gap photoresponse that scales monotonically with the Au concentration. However, there is thought to be a limit to this behavior since ultrahigh Au concentrations (>1 ×1020c m-3 ) are expected to induce cellular breakdown during the rapid resolidification of Si, a process that is associated with significant lateral impurity precipitation. This work shows that the cellular morphology observed in Au-hyperdoped Si differs from that in conventional, steady-state cellular breakdown. In particular, Rutherford backscattering spectrometry combined with channeling and transmission electron microscopy revealed an inhomogeneous Au distribution and a subsurface network of Au-rich filaments, within which the Au impurities largely reside on substitutional positions in the crystalline Si lattice, at concentrations as high as ˜3 at. %. The measured substitutional Au dose, regardless of the presence of Au-rich filaments, correlates strongly with the sub-band gap optical absorptance. Upon subsequent thermal treatment, the supersaturated Au forms precipitates, while the Au substitutionality and the sub-band gap optical absorption both decrease. These results offer insight into a metastable filamentary regime in Au-hyperdoped Si that has important implications for Si-based infrared optoelectronics.

Hyperspectral diffuse reflectance for determination of the optical properties of milk and fruit and vegetable juices

NASA Astrophysics Data System (ADS)

Qin, Jianwei; Lu, Renfu

2005-11-01

Absorption and reduced scattering coefficients are two fundamental optical properties for turbid biological materials. This paper presents the technique and method of using hyperspectral diffuse reflectance for fast determination of the optical properties of fruit and vegetable juices and milks. A hyperspectral imaging system was used to acquire spatially resolved steady-state diffuse reflectance over the spectral region between 530 and 900 nm from a variety of fruit and vegetable juices (citrus, grapefruit, orange, and vegetable) and milks with different fat levels (full, skim and mixed). The system collected diffuse reflectance in the source-detector separation range from 1.1 to 10.0 mm. The hyperspectral reflectance data were analyzed by using a diffusion theory model for semi-infinite homogeneous media. The absorption and reduced scattering coefficients of the fruit and vegetable juices and milks were extracted by inverse algorithms from the scattering profiles for wavelengths of 530-900 nm. Values of the absorption and reduced scattering coefficient at 650 nm were highly correlated to the fat content of the milk samples with the correlation coefficient of 0.990 and 0.989, respectively. The hyperspectral imaging technique can be extended to the measurement of other liquid and solid foods in which light scattering is dominant.

The Transient Dermal Exposure II: Post-Exposure Absorption and Evaporation of Volatile Compounds

PubMed Central

FRASCH, H. FREDERICK; BUNGE, ANNETTE L.

2016-01-01

The transient dermal exposure is one where the skin is exposed to chemical for a finite duration, after which the chemical is removed and no residue remains on the skin’s surface. Chemical within the skin at the end of the exposure period can still enter the systemic circulation. If it has some volatility, a portion of it will evaporate from the surface before it has a chance to be absorbed by the body. The fate of this post-exposure “skin depot” is the focus of this theoretical study. Laplace domain solutions for concentration distribution, flux, and cumulative mass absorption and evaporation are presented, and time domain results are obtained through numerical inversion. The Final Value Theorem is applied to obtain the analytical solutions for the total fractional absorption by the body and evaporation from skin at infinite time following a transient exposure. The solutions depend on two dimensionless variables: χ, the ratio of evaporation rate to steady-state dermal permeation rate; and the ratio of exposure time to membrane lag time. Simple closed form algebraic equations are presented that closely approximate the complete analytical solutions. Applications of the theory to the dermal risk assessment of pharmaceutical, occupational, and environmental exposures are presented for four example chemicals. PMID:25611182

Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field

NASA Astrophysics Data System (ADS)

Sıdır, Yadigar Gülseven; Sıdır, İsa; Demiray, Ferhat

2017-06-01

The optical absorption and steady-state fluorescence spectra of 4-heptyloxybenzoic acid (4hoba), 4-octyloxybenzoic acid (4ooba) and 4-nonyloxybenzoic acid (4noba) liquid crystals have been measured in a series of different polarity organic solvents. The ground state (μg) and excited state (μe) dipole moments of the monomeric and dimeric 4-alkyloxybenzoic acid liquid crystals have been obtained by means of different solvatochromic shift methods. HOMO-LUMO gaps (HLG) and dipole moments have been tuned by applying external electric (EF) field on monomer, dimer and Au substituted monomer and dimer liquid crystal structures. By applying external electric field, Au substituted monomer liquid crystals display semiconductor character, while Au substituted dimer liquid crystals gain metallic character under E = 0.04 V/Å. Eventuated specific and non-specific interactions between solvent and solute in solvent medium have been expounded by using LSER (Linear Solvation Energy Relationships).

X-ray spectral analysis of the steady states of GRS 1915+105

NASA Astrophysics Data System (ADS)

Peris, Charith; Remillard, Ronald A.; Steiner, James F.; Vrtilek, Saeqa Dil; Varniere, Peggy; Rodriguez, Jerome; Pooley, Guy G.

2016-04-01

Of the black hole binaries (BHBs) discovered thus far, GRS 1915+105 stands out as an exceptional source primarily due to its wild X-ray variability, the diversity of which has not been replicated in any other stellar-mass black hole. Although extreme variability is commonplace in its light-curve, about half of the observations of GRS1915+105 show fairly steady X-ray intensity. We report on the X-ray spectral behavior within these steady observations. Our work is based on a vast RXTE/PCA data set obtained on GRS 1915+105 during the course of its entire mission and 10 years of radio data from the Ryle Telescope, which overlap the X-ray data. We find that the steady observations within the X-ray data set naturally separate into two regions in a color-color diagram, which we refer to as steady-soft and steady-hard. GRS 1915+105 displays significant curvature in the Comptonization component within the PCA band pass suggesting significantly heating from a hot disk present in all states. A new Comptonization model 'simplcut' was developed in order to model this curvature to best effect. A majority of the steady-soft observations display a roughly constant inner disk radius, remarkably reminiscent of canonical soft state black hole binaries. In contrast, the steady-hard observations display a growing disk truncation that is correlated to the mass accretion rate through the disk, which suggests a magnetically truncated disk. A comparison of X-ray model parameters to the canonical state definitions show that almost all steady-soft observations match the criteria of either thermal or steep power law state, while the thermal state observations dominate the constant radius branch. A large portion 80 % of the steady-hard observations matches the hard state criteria when the disk fraction constraint is neglected. These results combine to suggest that within the complexity of this source is a simpler underlying basis of states, which map to those observed in canonical BHBs.

40 CFR 86.1363-2007 - Steady-state testing with a discrete-mode cycle.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 19 2010-07-01 2010-07-01 false Steady-state testing with a discrete-mode cycle. 86.1363-2007 Section 86.1363-2007 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Exhaust Test Procedures § 86.1363-2007 Steady-state testing with a discrete-mode cycle. This section...

AEROSOL GROWTH IN A STEADY-STATE, CONTINUOUS FLOW CHAMBER: APPLICATION TO STUDIES OF SECONDARY AEROSOL FORMATION

EPA Science Inventory

An analytical solution for the steady-state aerosol size distribution achieved in a steady-state, continuous flow chamber is derived, where particle growth is occurring by gas-to-particle conversion and particle loss is occurring by deposition to the walls of the chamber. The s...

Analytical Solution of Steady State Equations for Chemical Reaction Networks with Bilinear Rate Laws

PubMed Central

Halász, Ádám M.; Lai, Hong-Jian; McCabe, Meghan M.; Radhakrishnan, Krishnan; Edwards, Jeremy S.

2014-01-01

True steady states are a rare occurrence in living organisms, yet their knowledge is essential for quasi-steady state approximations, multistability analysis, and other important tools in the investigation of chemical reaction networks (CRN) used to describe molecular processes on the cellular level. Here we present an approach that can provide closed form steady-state solutions to complex systems, resulting from CRN with binary reactions and mass-action rate laws. We map the nonlinear algebraic problem of finding steady states onto a linear problem in a higher dimensional space. We show that the linearized version of the steady state equations obeys the linear conservation laws of the original CRN. We identify two classes of problems for which complete, minimally parameterized solutions may be obtained using only the machinery of linear systems and a judicious choice of the variables used as free parameters. We exemplify our method, providing explicit formulae, on CRN describing signal initiation of two important types of RTK receptor-ligand systems, VEGF and EGF-ErbB1. PMID:24334389

MATHEMATICAL ANALYSIS OF STEADY-STATE SOLUTIONS IN COMPARTMENT AND CONTINUUM MODELS OF CELL POLARIZATION

PubMed Central

ZHENG, ZHENZHEN; CHOU, CHING-SHAN; YI, TAU-MU; NIE, QING

2013-01-01

Cell polarization, in which substances previously uniformly distributed become asymmetric due to external or/and internal stimulation, is a fundamental process underlying cell mobility, cell division, and other polarized functions. The yeast cell S. cerevisiae has been a model system to study cell polarization. During mating, yeast cells sense shallow external spatial gradients and respond by creating steeper internal gradients of protein aligned with the external cue. The complex spatial dynamics during yeast mating polarization consists of positive feedback, degradation, global negative feedback control, and cooperative effects in protein synthesis. Understanding such complex regulations and interactions is critical to studying many important characteristics in cell polarization including signal amplification, tracking dynamic signals, and potential trade-off between achieving both objectives in a robust fashion. In this paper, we study some of these questions by analyzing several models with different spatial complexity: two compartments, three compartments, and continuum in space. The step-wise approach allows detailed characterization of properties of the steady state of the system, providing more insights for biological regulations during cell polarization. For cases without membrane diffusion, our study reveals that increasing the number of spatial compartments results in an increase in the number of steady-state solutions, in particular, the number of stable steady-state solutions, with the continuum models possessing infinitely many steady-state solutions. Through both analysis and simulations, we find that stronger positive feedback, reduced diffusion, and a shallower ligand gradient all result in more steady-state solutions, although most of these are not optimally aligned with the gradient. We explore in the different settings the relationship between the number of steady-state solutions and the extent and accuracy of the polarization. Taken together these results furnish a detailed description of the factors that influence the tradeoff between a single correctly aligned but poorly polarized stable steady-state solution versus multiple more highly polarized stable steady-state solutions that may be incorrectly aligned with the external gradient. PMID:21936604

Steady-state pharmacokinetics of oral testosterone undecanoate with concomitant inhibition of 5α-reductase by finasteride

PubMed Central

Roth, M. Y.; Dudley, R. E.; Hull, L.; Leung, A.; Christenson, P.; Wang, C.; Swerdloff, R.; Amory, J. K.

2014-01-01

Summary Oral testosterone undecanoate (TU) is used to treat testosterone deficiency; however, oral TU treatment elevates dihydrotestosterone (DHT), which may be associated with an increased risk of acne, male pattern baldness and prostate hyperplasia. Co-administration of 5α-reductase inhibitors with other formulations of oral testosterone suppresses DHT production and increases serum testosterone. We hypothesized that finasteride would increase serum testosterone and lower DHT during treatment with oral TU. Therefore, we studied the steady-state pharmacokinetics of oral TU, 200 mg equivalents of testosterone twice daily for 7 days, alone and with finasteride 0.5 and 1.0 mg po twice daily in an open-label, three-way crossover study in 11 young men with experimentally induced hypogonadism. On the seventh day of each dosing period, serum testosterone, DHT and oestradiol were measured at baseline and 1, 2, 4, 8, 12, 13, 14, 16, 20 and 24 h after the morning dose. Serum testosterone and DHT were significantly increased into and above their normal ranges similarly by all three treatments. Co-administration of finasteride at 0.5 and 1.0 mg po twice daily had no significant effect on either serum testosterone or DHT. Oral TU differs from other formulations of oral testosterone in its response to concomitant inhibition of 5α-reductase, perhaps because of its unique lymphatic route of absorption. PMID:20969601

Radiolytic degradation of 4-nitrophenol in aqueous solutions: Pulse and steady state radiolysis study

NASA Astrophysics Data System (ADS)

Biswal, Jayashree; Paul, Jhimli; Naik, D. B.; Sarkar, S. K.; Sabharwal, S.

2013-04-01

The radiation induced degradation of 4-nitrophenol (4-NP) has been studied by gamma irradiation, while the reactivity and spectral features of the short lived transients formed by reaction with primary transient radicals at different pHs has been investigated by pulse radiolysis technique. In steady state radiolysis a dose of 4.4 k Gy is able to degrade 98% of 1×10-4 mol dm-3 4-NP. 4-NP has pKa at 7.1, above which it is present in the anionic form. At pH 5.2, •OH and N3• radicals were found to react with 4-NP with rate constants of 4.1×109 dm3 mol-1 s-1 and 2.8×108 dm3 mol-1 s-1, respectively. Differences in the absorption spectra of species formed in the reactions of 4-NP with •OH and N3• radicals suggested that •OH radicals add to the aromatic ring of 4-NP along with electron transfer reaction, whereas N3• radicals undergo only electron transfer reaction. At pH 9.2, rate constants for the reaction of •OH radicals with 4-NP was found to be higher by a factor of 2 compared to that at pH 5.2. This has been assigned to the deprotonation of 4-NP at pH 9.2.

Spectral heterogeneity and carotenoid-to-bacteriochlorophyll energy transfer in LH2 light-harvesting complexes from Allochromatium vinosum.

PubMed

Magdaong, Nikki M; LaFountain, Amy M; Hacking, Kirsty; Niedzwiedzki, Dariusz M; Gibson, George N; Cogdell, Richard J; Frank, Harry A

2016-02-01

Photosynthetic organisms produce a vast array of spectral forms of antenna pigment-protein complexes to harvest solar energy and also to adapt to growth under the variable environmental conditions of light intensity, temperature, and nutrient availability. This behavior is exemplified by Allochromatium (Alc.) vinosum, a photosynthetic purple sulfur bacterium that produces different types of LH2 light-harvesting complexes in response to variations in growth conditions. In the present work, three different spectral forms of LH2 from Alc. vinosum, B800-820, B800-840, and B800-850, were isolated, purified, and examined using steady-state absorption and fluorescence spectroscopy, and ultrafast time-resolved absorption spectroscopy. The pigment composition of the LH2 complexes was analyzed by high-performance liquid chromatography, and all were found to contain five carotenoids: lycopene, anhydrorhodovibrin, spirilloxanthin, rhodopin, and rhodovibrin. Spectral reconstructions of the absorption and fluorescence excitation spectra based on the pigment composition revealed significantly more spectral heterogeneity in these systems compared to LH2 complexes isolated from other species of purple bacteria. The data also revealed the individual carotenoid-to-bacteriochlorophyll energy transfer efficiencies which were correlated with the kinetic data from the ultrafast transient absorption spectroscopic experiments. This series of LH2 complexes allows a systematic exploration of the factors that determine the spectral properties of the bound pigments and control the rate and efficiency of carotenoid-to-bacteriochlorophyll energy transfer.

Dermal bioavailability of benzo[a]pyrene on lampblack: implications for risk assessment.

PubMed

Stroo, Hans F; Roy, Timothy A; Liban, Cris B; Kreitinger, Joseph P

2005-06-01

Lampblack is the principal source of contamination in soils at manufactured gas plant (MGP) sites where oil was used as the feedstock. Risks and cleanup criteria at these sites are determined primarily by the total carcinogenic polynuclear aromatic hydrocarbon (PAH) content, particularly the concentration of benzo[a]pyrene (BaP). Dermal contact with soils at oil-gas MGP sites is a significant component of the overall risks. Seven samples were collected from oil-gas MGP sites and the steady-state dermal fluxes were measured over 96 h in vitro. The standard dermal bioassay technique (in which 3H-BaP is added to the soil matrix) was modified to allow direct measurement of the dermal absorption of the native BaP in the samples. The experimentally derived dermal absorption factors for BaP were 14 to 107 times lower than the default assumption of 15% over 24 h (55-fold lower on average). The dermal fluxes were correlated positively to the total BaP and total carbon concentrations. The measured dermal absorption factors were compared to the default risk-assessment calculations for all seven samples. The calculated excess cancer risk was reduced as a result of using the measured absorption factors by 97% on average (with reductions ranging from 93 to 99%). This work indicates the risks at oil-gas MGP sites currently are overestimated by one to two orders of magnitude, and provides a protocol for the testing and data analysis needed to generate site-specific cleanup levels.

An exact solution for the steady state phase distribution in an array of oscillators coupled on a hexagonal lattice

NASA Technical Reports Server (NTRS)

Pogorzelski, Ronald J.

2004-01-01

When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.

Preconditioning and the limit to the incompressible flow equations

NASA Technical Reports Server (NTRS)

Turkel, E.; Fiterman, A.; Vanleer, B.

1993-01-01

The use of preconditioning methods to accelerate the convergence to a steady state for both the incompressible and compressible fluid dynamic equations are considered. The relation between them for both the continuous problem and the finite difference approximation is also considered. The analysis relies on the inviscid equations. The preconditioning consists of a matrix multiplying the time derivatives. Hence, the steady state of the preconditioned system is the same as the steady state of the original system. For finite difference methods the preconditioning can change and improve the steady state solutions. An application to flow around an airfoil is presented.

Theoretical studies of solar-pumped lasers

NASA Technical Reports Server (NTRS)

Harries, W. L.

1982-01-01

Solar-pumped lasers were investigated by comparing experimental results from pulse experiments with steady state calculations. The time varying behavior of an IBr laser is studied. The analysis is only approximate, but indicates that conditions occurring in a pulsed experiment are quite different from those at steady state. The possibility of steady-state lasing in an IBr laser is determined. The effects of high temperatures on the quenching and recombination rates are examined. Although uncertainties in the values of the rate coefficients make it difficult to draw firm conclusions, it seems steady state running may be possible at high temperatures.

Effects of single atom doping on the ultrafast electron dynamics of M1Au24(SR)18 (M = Pd, Pt) nanoclusters.

PubMed

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y; Nobusada, Katsuyuki; Jin, Rongchao

2016-04-07

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.

Effects of single atom doping on the ultrafast electron dynamics of M 1Au 24(SR) 18 (M = Pd, Pt) nanoclusters

DOE PAGES

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y.; ...

2016-02-29

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M 1@Au 24(SR) 18 (M = Pd, Pt; R = CH 2CH 2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M 1Au 12 core states; (2) core to shell relaxation in a few picoseconds; and (3)more » relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au 25(SR) 18 cluster. As a result, the detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.« less

Fluorescence spectral properties of stomach tissues with pathology

NASA Astrophysics Data System (ADS)

Giraev, K. M.; Ashurbekov, N. A.; Lahina, M. A.

2012-05-01

Steady-state fluorescence and diffuse reflection spectra are measured for in vivo normal and pathological (chronic atrophic and ulcerating defects, malignant neoplasms) stomach mucous lining tissues. The degree of distortion of the fluorescence spectra is estimated taking light scattering and absorption into account. A combination of Gauss and Lorentz functions is used to decompose the fluorescence spectra. Potential groups of fluorophores are determined and indices are introduced to characterize the dynamics of their contributions to the resultant spectra as pathologies develop. Reabsorption is found to quench the fluorescence of structural proteins by as much as a factor of 3, while scattering of the light can increase the fluorescence intensity of flavin and prophyrin groups by as much as a factor of 2.

Radiation induced decomposition of chlorinated phenols in water

NASA Astrophysics Data System (ADS)

Getoff, N.; Solar, S.

Experiments with 4-Cl-phenol as a model compound for pesticides were performed under steady-state conditions using deoxygenated solutions as well as such saturated with air, oxygen or oxygen mixed with ozone. The yield of Cl -ions serviced as an indicator for the degradation process. As main products of the first step of decomposition were identified: polyhydroxybenzenes, aldehydes and acids. The yield of aldehydes was studied as a function of the absorbed dose and substrate concentration. In the presence of ozone a chain-reaction of the oxidative pollutant degradation takes place. Transient absorption spectra and kinetics obtained by preliminary pulse radiolysis studies of 4-Cl-phenol in the presence of oxygen as well as probable reaction mechanisms are also presented.

Unusually large Stokes shift for a near-infrared emitting DNA-stabilized silver nanocluster

NASA Astrophysics Data System (ADS)

Ammitzbøll Bogh, Sidsel; Carro-Temboury, Miguel R.; Cerretani, Cecilia; Swasey, Steven M.; Copp, Stacy M.; Gwinn, Elisabeth G.; Vosch, Tom

2018-04-01

In this paper we present a new near-IR emitting silver nanocluster (NIR-DNA-AgNC) with an unusually large Stokes shift between absorption and emission maximum (211 nm or 5600 cm-1). We studied the effect of viscosity and temperature on the steady state and time-resolved emission. The time-resolved results on NIR-DNA-AgNC show that the relaxation dynamics slow down significantly with increasing viscosity of the solvent. In high viscosity solution, the spectral relaxation stretches well into the nanosecond scale. As a result of this slow spectral relaxation in high viscosity solutions, a multi-exponential fluorescence decay time behavior is observed, in contrast to the more mono-exponential decay in low viscosity solution.

The role of organic solvent radical cations in separations ligand degradation

DOE PAGES

Mezyk, Stephen P.; Mincher, Bruce J.; Dhiman, Surajdevprakash B.; ...

2015-11-04

The dodecane radical cation reaction rate constant with CMPO was measured using ps electron pulse radiolysis/absorption spectroscopy as k = (1.30 ± 0.11) x 1010 M -1 s -1 in dodecane/0.10 M CH 2Cl 2 solution. No reactivity increase occurred when these solutions were pre-contacted with nitric acid, similar to the behavior observed for TODGA. To corroborate these kinetic data with steady-state radiolysis measurements, where acid pre contacted CMPO showed significantly less degradation, it is proposed that the dodecane radical cation always reacts directly with TODGA, but for CMPO the charge-transfer occurs with the CMPO•HNO 3 complex formed in themore » acid contacted solvent.« less

Quantification of the memory effect of steady-state currents from interaction-induced transport in quantum systems

NASA Astrophysics Data System (ADS)

Lai, Chen-Yen; Chien, Chih-Chun

2017-09-01

Dynamics of a system in general depends on its initial state and how the system is driven, but in many-body systems the memory is usually averaged out during evolution. Here, interacting quantum systems without external relaxations are shown to retain long-time memory effects in steady states. To identify memory effects, we first show quasi-steady-state currents form in finite, isolated Bose- and Fermi-Hubbard models driven by interaction imbalance and they become steady-state currents in the thermodynamic limit. By comparing the steady-state currents from different initial states or ramping rates of the imbalance, long-time memory effects can be quantified. While the memory effects of initial states are more ubiquitous, the memory effects of switching protocols are mostly visible in interaction-induced transport in lattices. Our simulations suggest that the systems enter a regime governed by a generalized Fick's law and memory effects lead to initial-state-dependent diffusion coefficients. We also identify conditions for enhancing memory effects and discuss possible experimental implications.

Nanoscale investigation of platinum nanoparticles on strontium titanium oxide grown via physical vapor deposition and atomic layer deposition

NASA Astrophysics Data System (ADS)

Christensen, Steven Thomas

This dissertation examines growth of platinum nanoparticles from vapor deposition on SrTiO3 using a characterization approach that combines imaging techniques and X-ray methods. The primary suite of characterization probes includes atomic force microscopy (AFM), grazing-incidence small-angle X-ray scattering (GISAXS), X-ray fluorescence (XRF), scanning electron microscopy (SEM), and X-ray absorption spectroscopy (XAS). The vapor deposition techniques include physical vapor deposition (PVD) by evaporation and atomic layer deposition (ALD). For the PVD platinum study, AFM/XRF showed ˜10 nm nanoparticles separated by an average of 100 nm. The combination of AFM, GISAXS, and XRF indicated that the nanoparticles observed with AFM were actually comprised of closely spaced, smaller nanoparticles. These conclusions were supported by high-resolution SEM. The unusual behavior of platinum nanoparticles to aggregate without coalescence or sintering was observed previously by other researchers using transmissision electron microscopy (TEM). Platinum nanoparticle growth was also investigated on SrTiO3 (001) single crystals using ALD to nucleate nanoparticles that subsequently grew and coalesced into granular films as the ALD progresses. The expected growth rate for the early stages of ALD showed a two-fold increase which was attributed to the platinum deposition occurring faster on the bare substrate. Once the nanoparticles had coalesced into a film, steady state ALD growth proceeded. The formation of nanoparticles was attributed to the atomic diffusion of platinum atoms on the surface in addition to direct growth from the ALD precursor gases. The platinum ALD nanoparticles were also studied on SrTiO3 nanocube powders. The SrTiO3 nanocubes average 60 nm on a side and the cube faces have a {001} orientation. The ALD proceeded in a similar fashion as on the single crystal substrates where the deposition rate was twice as fast as the steady state growth rate. The Pt nanoparticle size increased linearly starting at ˜0.7 nm for 1 ALD cycle to ˜3 nm for 5 ALD cycles. The platinum chemical state was also investigated using X-ray absorption spectroscopy. Platinum nanoparticles ˜1 nm or smaller tended to be oxidized. For larger nanoparticles, the platinum state systematically approached that of bulk platinum metal as the size (number of ALD cycles) increased. The platinum loading was exceptionally low, ˜10 -3 mg cm-2.

A Critical Evaluation of the Influence of the Dark Exchange Current on the Performance of Dye-Sensitized Solar Cells

PubMed Central

García-Rodríguez, Rodrigo; Villanueva-Cab, Julio; Anta, Juan A.; Oskam, Gerko

2016-01-01

The influence of the thickness of the nanostructured, mesoporous TiO2 film on several parameters determining the performance of a dye-sensitized solar cell is investigated both experimentally and theoretically. We pay special attention to the effect of the exchange current density in the dark, and we compare the values obtained by steady state measurements with values extracted from small perturbation techniques. We also evaluate the influence of exchange current density, the solar cell ideality factor, and the effective absorption coefficient of the cell on the optimal film thickness. The results show that the exchange current density in the dark is proportional to the TiO2 film thickness, however, the effective absorption coefficient is the parameter that ultimately defines the ideal thickness. We illustrate the importance of the exchange current density in the dark on the determination of the current–voltage characteristics and we show how an important improvement of the cell performance can be achieved by decreasing values of the total series resistance and the exchange current density in the dark. PMID:28787833

Guided-wave approaches to spectrally selective energy absorption

NASA Technical Reports Server (NTRS)

Stegeman, G. I.; Burke, J. J.

1987-01-01

Results of experiments designed to demonstrate spectrally selective absorption in dielectric waveguides on semiconductor substrates are reported. These experiments were conducted with three waveguides formed by sputtering films of PSK2 glass onto silicon-oxide layers grown on silicon substrates. The three waveguide samples were studied at 633 and 532 nm. The samples differed only in the thickness of the silicon-oxide layer, specifically 256 nm, 506 nm, and 740 nm. Agreement between theoretical predictions and measurements of propagation constants (mode angles) of the six or seven modes supported by these samples was excellent. However, the loss measurements were inconclusive because of high scattering losses in the structures fabricated (in excess of 10 dB/cm). Theoretical calculations indicated that the power distribution among all the modes supported by these structures will reach its steady state value after a propagation length of only 1 mm. Accordingly, the measured loss rates were found to be almost independent of which mode was initially excited. The excellent agreement between theory and experiment leads to the conclusion that low loss waveguides confirm the predicted loss rates.

High-Resolution Mapping of Thermal History in Polymer Nanocomposites: Gold Nanorods as Microscale Temperature Sensors.

PubMed

Kennedy, W Joshua; Slinker, Keith A; Volk, Brent L; Koerner, Hilmar; Godar, Trenton J; Ehlert, Gregory J; Baur, Jeffery W

2015-12-23

A technique is reported for measuring and mapping the maximum internal temperature of a structural epoxy resin with high spatial resolution via the optically detected shape transformation of embedded gold nanorods (AuNRs). Spatially resolved absorption spectra of the nanocomposites are used to determine the frequencies of surface plasmon resonances. From these frequencies the AuNR aspect ratio is calculated using a new analytical approximation for the Mie-Gans scattering theory, which takes into account coincident changes in the local dielectric. Despite changes in the chemical environment, the calculated aspect ratio of the embedded nanorods is found to decrease over time to a steady-state value that depends linearly on the temperature over the range of 100-200 °C. Thus, the optical absorption can be used to determine the maximum temperature experienced at a particular location when exposure times exceed the temperature-dependent relaxation time. The usefulness of this approach is demonstrated by mapping the temperature of an internally heated structural epoxy resin with 10 μm lateral spatial resolution.

40 CFR Appendix C to Subpart S of... - Steady-State Short Test Standards

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 2 2010-07-01 2010-07-01 false Steady-State Short Test Standards C Appendix C to Subpart S of Part 51 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED.../Maintenance Program Requirements Pt. 51, Subpt. S, App. C Appendix C to Subpart S of Part 51—Steady-State...

40 CFR Appendix II to Part 1039 - Steady-State Duty Cycles

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 32 2010-07-01 2010-07-01 false Steady-State Duty Cycles II Appendix... Appendix II to Part 1039—Steady-State Duty Cycles (a) The following duty cycles apply for constant-speed engines: (1) The following duty cycle applies for discrete-mode testing: D2 mode number Engine speed...

40 CFR Appendix C to Subpart S of... - Steady-State Short Test Standards

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 2 2014-07-01 2014-07-01 false Steady-State Short Test Standards C Appendix C to Subpart S of Part 51 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED.../Maintenance Program Requirements Pt. 51, Subpt. S, App. C Appendix C to Subpart S of Part 51—Steady-State...

40 CFR Appendix C to Subpart S of... - Steady-State Short Test Standards

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 2 2012-07-01 2012-07-01 false Steady-State Short Test Standards C Appendix C to Subpart S of Part 51 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED.../Maintenance Program Requirements Pt. 51, Subpt. S, App. C Appendix C to Subpart S of Part 51—Steady-State...

40 CFR Appendix II to Part 1039 - Steady-State Duty Cycles

Code of Federal Regulations, 2011 CFR

2011-07-01

... Appendix II to Part 1039—Steady-State Duty Cycles (a) The following duty cycles apply for constant-speed engines: (1) The following duty cycle applies for discrete-mode testing: D2 mode number Engine speed...(seconds) Engine speed Torque(percent) 1, 2 1a Steady-state 53 Engine governed 100. 1b Transition 20 Engine...

Numerical modeling of carrier gas flow in atomic layer deposition vacuum reactor: A comparative study of lattice Boltzmann models

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

Pan, Dongqing; Chien Jen, Tien; Li, Tao

2014-01-15

This paper characterizes the carrier gas flow in the atomic layer deposition (ALD) vacuum reactor by introducing Lattice Boltzmann Method (LBM) to the ALD simulation through a comparative study of two LBM models. Numerical models of gas flow are constructed and implemented in two-dimensional geometry based on lattice Bhatnagar–Gross–Krook (LBGK)-D2Q9 model and two-relaxation-time (TRT) model. Both incompressible and compressible scenarios are simulated and the two models are compared in the aspects of flow features, stability, and efficiency. Our simulation outcome reveals that, for our specific ALD vacuum reactor, TRT model generates better steady laminar flow features all over the domainmore » with better stability and reliability than LBGK-D2Q9 model especially when considering the compressible effects of the gas flow. The LBM-TRT is verified indirectly by comparing the numerical result with conventional continuum-based computational fluid dynamics solvers, and it shows very good agreement with these conventional methods. The velocity field of carrier gas flow through ALD vacuum reactor was characterized by LBM-TRT model finally. The flow in ALD is in a laminar steady state with velocity concentrated at the corners and around the wafer. The effects of flow fields on precursor distributions, surface absorptions, and surface reactions are discussed in detail. Steady and evenly distributed velocity field contribute to higher precursor concentration near the wafer and relatively lower particle velocities help to achieve better surface adsorption and deposition. The ALD reactor geometry needs to be considered carefully if a steady and laminar flow field around the wafer and better surface deposition are desired.« less

Steady-state and quench-dependent relaxation of a quantum dot coupled to one-dimensional leads

NASA Astrophysics Data System (ADS)

Nuss, Martin; Ganahl, Martin; Evertz, Hans Gerd; Arrigoni, Enrico; von der Linden, Wolfgang

2013-07-01

We study the time evolution and steady state of the charge current in a single-impurity Anderson model, using matrix product states techniques. A nonequilibrium situation is imposed by applying a bias voltage across one-dimensional tight-binding leads. Focusing on particle-hole symmetry, we extract current-voltage characteristics from universal low-bias up to high-bias regimes, where band effects start to play a dominant role. We discuss three quenches, which after strongly quench-dependent transients yield the same steady-state current. Among these quenches we identify those favorable for extracting steady-state observables. The period of short-time oscillations is shown to compare well to real-time renormalization group results for a simpler model of spinless fermions. We find indications that many-body effects play an important role at high-bias voltage and finite bandwidth of the metallic leads. The growth of entanglement entropy after a certain time scale ∝Δ-1 is the major limiting factor for calculating the time evolution. We show that the magnitude of the steady-state current positively correlates with entanglement entropy. The role of high-energy states for the steady-state current is explored by considering a damping term in the time evolution.

Steady-state pattern electroretinogram and short-duration transient visual evoked potentials in glaucomatous and healthy eyes.

PubMed

Amarasekera, Dilru C; Resende, Arthur F; Waisbourd, Michael; Puri, Sanjeev; Moster, Marlene R; Hark, Lisa A; Katz, L Jay; Fudemberg, Scott J; Mantravadi, Anand V

2018-01-01

This study evaluates two rapid electrophysiological glaucoma diagnostic tests that may add a functional perspective to glaucoma diagnosis. This study aimed to determine the ability of two office-based electrophysiological diagnostic tests, steady-state pattern electroretinogram and short-duration transient visual evoked potentials, to discern between glaucomatous and healthy eyes. This is a cross-sectional study in a hospital setting. Forty-one patients with glaucoma and 41 healthy volunteers participated in the study. Steady-state pattern electroretinogram and short-duration transient visual evoked potential testing was conducted in glaucomatous and healthy eyes. A 64-bar-size stimulus with both a low-contrast and high-contrast setting was used to compare steady-state pattern electroretinogram parameters in both groups. A low-contrast and high-contrast checkerboard stimulus was used to measure short-duration transient visual evoked potential parameters in both groups. Steady-state pattern electroretinogram parameters compared were MagnitudeD, MagnitudeD/Magnitude ratio, and the signal-to-noise ratio. Short-duration transient visual evoked potential parameters compared were amplitude and latency. MagnitudeD was significantly lower in glaucoma patients when using a low-contrast (P = 0.001) and high-contrast (P < 0.001) 64-bar-size steady-state pattern electroretinogram stimulus. MagnitudeD/Magnitude ratio and SNR were significantly lower in the glaucoma group when using a high-contrast 64-bar-size stimulus (P < 0.001 and P = 0.010, respectively). Short-duration transient visual evoked potential amplitude and latency were not significantly different between the two groups. Steady-state pattern electroretinogram was effectively able to discern between glaucomatous and healthy eyes. Steady-state pattern electroretinogram may thus have a role as a clinically useful electrophysiological diagnostic tool. © 2017 Royal Australian and New Zealand College of Ophthalmologists.

Time density curve analysis for C-arm FDCT PBV imaging.

PubMed

Kamran, Mudassar; Byrne, James V

2016-04-01

Parenchymal blood volume (PBV) estimation using C-arm flat detector computed tomography (FDCT) assumes a steady-state contrast concentration in cerebral vasculature for the scan duration. Using time density curve (TDC) analysis, we explored if the steady-state assumption is met for C-arm CT PBV scans, and how consistent the contrast-material dynamics in cerebral vasculature are across patients. Thirty C-arm FDCT datasets of 26 patients with aneurysmal-SAH, acquired as part of a prospective study comparing C-arm CT PBV with MR-PWI, were analysed. TDCs were extracted from the 2D rotational projections. Goodness-of-fit of TDCs to a steady-state horizontal-line-model and the statistical similarity among the individual TDCs were tested. Influence of the differences in TDC characteristics on the agreement of resulting PBV measurements with MR-CBV was calculated. Despite identical scan parameters and contrast-injection-protocol, the individual TDCs were statistically non-identical (p < 0.01). Using Dunn's multiple comparisons test, of the total 435 individual comparisons among the 30 TDCs, 330 comparisons (62%) reached statistical significance for difference. All TDCs deviated significantly (p < 0.01) from the steady-state horizontal-line-model. PBV values of those datasets for which the TDCs showed largest deviations from the steady-state model demonstrated poor agreement and correlation with MR-CBV, compared with the PBV values of those datasets for which the TDCs were closer to steady-state. For clinical C-arm CT PBV examinations, the administered contrast material does not reach the assumed 'ideal steady-state' for the duration of scan. Using a prolonged injection protocol, the degree to which the TDCs approximate the ideal steady-state influences the agreement of resulting PBV measurements with MR-CBV. © The Author(s) 2016.

Quantum Dots' Photo-luminescence Line Shape Modeling

NASA Astrophysics Data System (ADS)

Hua, Muchuan; Decca, Ricardo

Two usual phenomena observed in quantum dots (QDs) photo-luminescence (PL) spectra are line broadening and energy shift between absorption and emission peaks. They have been attributed to electron-phonon coupling and surface trapping during the PL process. Although many qualitative work describing these phenomena has been carried out, quantitative results are far less common. In this work, a semi-empirical model is introduced to simulate steady state QDs' PL processes at room temperature. It was assumed that the vast majority of radiative recombination happens from surface trapped states. Consequently, the PL line shape should be highly modulated by transition rates between states in the conduction band and between them and surface trapping states. CdSe/ZnS (core/shell) colloidal QD samples with different sizes were used to examine the model. The model was able to successfully reproduce the PL spectra of these samples even when the excitation happens within the emission spectra, giving raise to up-conversion events. This model might help understand and make more precise predictions of QDs' PL spectra and could also aid on the design of QDs' optical devices.

Prediction of elemental creep. [steady state and cyclic data from regression analysis

NASA Technical Reports Server (NTRS)

Davis, J. W.; Rummler, D. R.

1975-01-01

Cyclic and steady-state creep tests were performed to provide data which were used to develop predictive equations. These equations, describing creep as a function of stress, temperature, and time, were developed through the use of a least squares regression analyses computer program for both the steady-state and cyclic data sets. Comparison of the data from the two types of tests, revealed that there was no significant difference between the cyclic and steady-state creep strains for the L-605 sheet under the experimental conditions investigated (for the same total time at load). Attempts to develop a single linear equation describing the combined steady-state and cyclic creep data resulted in standard errors of estimates higher than obtained for the individual data sets. A proposed approach to predict elemental creep in metals uses the cyclic creep equation and a computer program which applies strain and time hardening theories of creep accumulation.

Absolute Steady-State Thermal Conductivity Measurements by Use of a Transient Hot-Wire System.

PubMed

Roder, H M; Perkins, R A; Laesecke, A; Nieto de Castro, C A

2000-01-01

A transient hot-wire apparatus was used to measure the thermal conductivity of argon with both steady-state and transient methods. The effects of wire diameter, eccentricity of the wire in the cavity, axial conduction, and natural convection were accounted for in the analysis of the steady-state measurements. Based on measurements on argon, the relative uncertainty at the 95 % level of confidence of the new steady-state measurements is 2 % at low densities. Using the same hot wires, the relative uncertainty of the transient measurements is 1 % at the 95 % level of confidence. This is the first report of thermal conductivity measurements made by two different methods in the same apparatus. The steady-state method is shown to complement normal transient measurements at low densities, particularly for fluids where the thermophysical properties at low densities are not known with high accuracy.

Quasi steady-state aerodynamic model development for race vehicle simulations

NASA Astrophysics Data System (ADS)

Mohrfeld-Halterman, J. A.; Uddin, M.

2016-01-01

Presented in this paper is a procedure to develop a high fidelity quasi steady-state aerodynamic model for use in race car vehicle dynamic simulations. Developed to fit quasi steady-state wind tunnel data, the aerodynamic model is regressed against three independent variables: front ground clearance, rear ride height, and yaw angle. An initial dual range model is presented and then further refined to reduce the model complexity while maintaining a high level of predictive accuracy. The model complexity reduction decreases the required amount of wind tunnel data thereby reducing wind tunnel testing time and cost. The quasi steady-state aerodynamic model for the pitch moment degree of freedom is systematically developed in this paper. This same procedure can be extended to the other five aerodynamic degrees of freedom to develop a complete six degree of freedom quasi steady-state aerodynamic model for any vehicle.

Technical challenges in the construction of the steady-state stellarator Wendelstein 7-X

NASA Astrophysics Data System (ADS)

Bosch, H.-S.; Wolf, R. C.; Andreeva, T.; Baldzuhn, J.; Birus, D.; Bluhm, T.; Bräuer, T.; Braune, H.; Bykov, V.; Cardella, A.; Durodié, F.; Endler, M.; Erckmann, V.; Gantenbein, G.; Hartmann, D.; Hathiramani, D.; Heimann, P.; Heinemann, B.; Hennig, C.; Hirsch, M.; Holtum, D.; Jagielski, J.; Jelonnek, J.; Kasparek, W.; Klinger, T.; König, R.; Kornejew, P.; Kroiss, H.; Krom, J. G.; Kühner, G.; Laqua, H.; Laqua, H. P.; Lechte, C.; Lewerentz, M.; Maier, J.; McNeely, P.; Messiaen, A.; Michel, G.; Ongena, J.; Peacock, A.; Pedersen, T. S.; Riedl, R.; Riemann, H.; Rong, P.; Rust, N.; Schacht, J.; Schauer, F.; Schroeder, R.; Schweer, B.; Spring, A.; Stäbler, A.; Thumm, M.; Turkin, Y.; Wegener, L.; Werner, A.; Zhang, D.; Zilker, M.; Akijama, T.; Alzbutas, R.; Ascasibar, E.; Balden, M.; Banduch, M.; Baylard, Ch.; Behr, W.; Beidler, C.; Benndorf, A.; Bergmann, T.; Biedermann, C.; Bieg, B.; Biel, W.; Borchardt, M.; Borowitz, G.; Borsuk, V.; Bozhenkov, S.; Brakel, R.; Brand, H.; Brown, T.; Brucker, B.; Burhenn, R.; Buscher, K.-P.; Caldwell-Nichols, C.; Cappa, A.; Cardella, A.; Carls, A.; Carvalho, P.; Ciupiński, Ł.; Cole, M.; Collienne, J.; Czarnecka, A.; Czymek, G.; Dammertz, G.; Dhard, C. P.; Davydenko, V. I.; Dinklage, A.; Drevlak, M.; Drotziger, S.; Dudek, A.; Dumortier, P.; Dundulis, G.; Eeten, P. v.; Egorov, K.; Estrada, T.; Faugel, H.; Fellinger, J.; Feng, Y.; Fernandes, H.; Fietz, W. H.; Figacz, W.; Fischer, F.; Fontdecaba, J.; Freund, A.; Funaba, T.; Fünfgelder, H.; Galkowski, A.; Gates, D.; Giannone, L.; García Regaña, J. M.; Geiger, J.; Geißler, S.; Greuner, H.; Grahl, M.; Groß, S.; Grosman, A.; Grote, H.; Grulke, O.; Haas, M.; Haiduk, L.; Hartfuß, H.-J.; Harris, J. H.; Haus, D.; Hein, B.; Heitzenroeder, P.; Helander, P.; Heller, R.; Hidalgo, C.; Hildebrandt, D.; Höhnle, H.; Holtz, A.; Holzhauer, E.; Holzthüm, R.; Huber, A.; Hunger, H.; Hurd, F.; Ihrke, M.; Illy, S.; Ivanov, A.; Jablonski, S.; Jaksic, N.; Jakubowski, M.; Jaspers, R.; Jensen, H.; Jenzsch, H.; Kacmarczyk, J.; Kaliatk, T.; Kallmeyer, J.; Kamionka, U.; Karaleviciu, R.; Kern, S.; Keunecke, M.; Kleiber, R.; Knauer, J.; Koch, R.; Kocsis, G.; Könies, A.; Köppen, M.; Koslowski, R.; Koshurinov, J.; Krämer-Flecken, A.; Krampitz, R.; Kravtsov, Y.; Krychowiak, M.; Krzesinski, G.; Ksiazek, I.; Kubkowska, M.; Kus, A.; Langish, S.; Laube, R.; Laux, M.; Lazerson, S.; Lennartz, M.; Li, C.; Lietzow, R.; Lohs, A.; Lorenz, A.; Louche, F.; Lubyako, L.; Lumsdaine, A.; Lyssoivan, A.; Maaßberg, H.; Marek, P.; Martens, C.; Marushchenko, N.; Mayer, M.; Mendelevitch, B.; Mertens, Ph.; Mikkelsen, D.; Mishchenko, A.; Missal, B.; Mizuuchi, T.; Modrow, H.; Mönnich, T.; Morizaki, T.; Murakami, S.; Musielok, F.; Nagel, M.; Naujoks, D.; Neilson, H.; Neubauer, O.; Neuner, U.; Nocentini, R.; Noterdaeme, J.-M.; Nührenberg, C.; Obermayer, S.; Offermanns, G.; Oosterbeek, H.; Otte, M.; Panin, A.; Pap, M.; Paquay, S.; Pasch, E.; Peng, X.; Petrov, S.; Pilopp, D.; Pirsch, H.; Plaum, B.; Pompon, F.; Povilaitis, M.; Preinhaelter, J.; Prinz, O.; Purps, F.; Rajna, T.; Récsei, S.; Reiman, A.; Reiter, D.; Remmel, J.; Renard, S.; Rhode, V.; Riemann, J.; Rimkevicius, S.; Riße, K.; Rodatos, A.; Rodin, I.; Romé, M.; Roscher, H.-J.; Rummel, K.; Rummel, Th.; Runov, A.; Ryc, L.; Sachtleben, J.; Samartsev, A.; Sanchez, M.; Sano, F.; Scarabosio, A.; Schmid, M.; Schmitz, H.; Schmitz, O.; Schneider, M.; Schneider, W.; Scheibl, L.; Scholz, M.; Schröder, G.; Schröder, M.; Schruff, J.; Schumacher, H.; Shikhovtsev, I. V.; Shoji, M.; Siegl, G.; Skodzik, J.; Smirnow, M.; Speth, E.; Spong, D. A.; Stadler, R.; Sulek, Z.; Szabó, V.; Szabolics, T.; Szetefi, T.; Szökefalvi-Nagy, Z.; Tereshchenko, A.; Thomsen, H.; Thumm, M.; Timmermann, D.; Tittes, H.; Toi, K.; Tournianski, M.; Toussaint, U. v.; Tretter, J.; Tulipán, S.; Turba, P.; Uhlemann, R.; Urban, J.; Urbonavicius, E.; Urlings, P.; Valet, S.; Van Eester, D.; Van Schoor, M.; Vervier, M.; Viebke, H.; Vilbrandt, R.; Vrancken, M.; Wauters, T.; Weissgerber, M.; Weiß, E.; Weller, A.; Wendorf, J.; Wenzel, U.; Windisch, T.; Winkler, E.; Winkler, M.; Wolowski, J.; Wolters, J.; Wrochna, G.; Xanthopoulos, P.; Yamada, H.; Yokoyama, M.; Zacharias, D.; Zajac, J.; Zangl, G.; Zarnstorff, M.; Zeplien, H.; Zoletnik, S.; Zuin, M.

2013-12-01

The next step in the Wendelstein stellarator line is the large superconducting device Wendelstein 7-X, currently under construction in Greifswald, Germany. Steady-state operation is an intrinsic feature of stellarators, and one key element of the Wendelstein 7-X mission is to demonstrate steady-state operation under plasma conditions relevant for a fusion power plant. Steady-state operation of a fusion device, on the one hand, requires the implementation of special technologies, giving rise to technical challenges during the design, fabrication and assembly of such a device. On the other hand, also the physics development of steady-state operation at high plasma performance poses a challenge and careful preparation. The electron cyclotron resonance heating system, diagnostics, experiment control and data acquisition are prepared for plasma operation lasting 30 min. This requires many new technological approaches for plasma heating and diagnostics as well as new concepts for experiment control and data acquisition.

Synthesis, photophysical, structural and electronic properties of novel regioisomerically pure 1,7-disubstituted perylene-3,4,9,10-tetracarboxylic monoimide dibutylester derivatives

NASA Astrophysics Data System (ADS)

Ozser, Mustafa E.; Mohiuddin, Obaidullah

2018-04-01

Three new isomerically pure 1,7-disubstituted perylene-3,4,9,10-tetracarboxylic monoimide dibutylester derivatives namely; N-[2-(diethylamino)ethyl]-1,7-dibromoperylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-1), N-[2-(diethylamino)ethyl]-1,7-di(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-2) and N-[2-(diethylamino)ethyl]-1,7-di(pyrrolidinyl)perylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-3), have been synthesized and their electronic absorption spectra, and steady-state fluorescence were investigated experimentally as well as by using density functional theory (DFT) calculations. All three compounds show good solubility in toluene and chloroform. Attachment of two tert-butylphenoxy groups at the 1,7-positions in PMD-2 resulted in a red shifted absorption band with an absorption maximum at 518 nm. UV/Vis absorption spectrum of PMD-3 bearing electron donating pyrrolidinyl groups at the 1,7-positions shows a broad absorption band within the visible region, extending to red region. Absorption maximum of lowest energy transition now shifts to 653 nm. In addition to the S0 → S1 absorption bands, bands belonging to S0 → S2 electronic transitions were observed at 378, 386, and 411 nm for PMD-1, PMD-2, and PMD-3 respectively. Compounds PMD-1, PMD-2 and PMD-3 display low fluorescence quantum yields of 0.027, 0.040 and 0.001, respectively in chloroform. DFT calculations revealed that the attachment of electron donating groups at 1,7-positions of perylene core, results in an increase in frontier orbitals energy levels. Observed energy increase in HOMO level is larger in each case, compared to the energy increase in LUMO levels, due to the higher contribution of side groups to HOMO. DFT calculated band gaps for PMD-1, PMD-2 and PMD-3 are 2.68, 2.63 and 2.29 eV respectively.

40 CFR Appendix II to Part 1042 - Steady-State Duty Cycles

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 32 2010-07-01 2010-07-01 false Steady-State Duty Cycles II Appendix..., App. II Appendix II to Part 1042—Steady-State Duty Cycles (a) The following duty cycles apply as specified in § 1042.505(b)(1): (1) The following duty cycle applies for discrete-mode testing: E3 mode No...

Min-By-Min Respiratory Exchange and Oxygen Uptake Kinetics During Steady-State Exercise in Subjects of High and Low Max VO2

ERIC Educational Resources Information Center

Weltman, Arthur; Katch, Victor

1976-01-01

No statistically meaningful differences in steady-state vo2 uptake for high and low max vo2 groups was indicated in this study, but a clear tendency was observed for the high max vo2 group to reach the steady-state at a faster rate. (MB)

Quantitative controls on submarine slope failure morphology

USGS Publications Warehouse

Lee, H.J.; Schwab, W.C.; Edwards, B.D.; Kayen, R.E.

1991-01-01

The concept of the steady-state of deformation can be applied to predicting the ultimate form a landslide will take. The steady-state condition, defined by a line in void ratio-effective stress space, exists at large levels of strain and remolding. Conceptually, if sediment initially exists with void ratio-effective stress conditions above the steady-state line, the sediment shear strength will decrease during a transient loading event, such as an earthquake or storm. If the reduced shear strength existing at the steady state is less than the downslope shear stress induced by gravity, then large-scale internal deformation, disintegration, and flow will occur. -from Authors

Isotopic composition of transpiration and rates of change in leaf water isotopologue storage in response to environmental variables.

PubMed

Simonin, Kevin A; Roddy, Adam B; Link, Percy; Apodaca, Randy; Tu, Kevin P; Hu, Jia; Dawson, Todd E; Barbour, Margaret M

2013-12-01

During daylight hours, the isotope composition of leaf water generally approximates steady-state leaf water isotope enrichment model predictions. However, until very recently there was little direct confirmation that isotopic steady-state (ISS) transpiration in fact exists. Using isotope ratio infrared spectroscopy (IRIS) and leaf gas exchange systems we evaluated the isotope composition of transpiration and the rate of change in leaf water isotopologue storage (isostorage) when leaves were exposed to variable environments. In doing so, we developed a method for controlling the absolute humidity entering the gas exchange cuvette for a wide range of concentrations without changing the isotope composition of water vapour. The measurement system allowed estimation of (18)O enrichment both at the evaporation site and for bulk leaf water, in the steady state and the non-steady state. We show that non-steady-state effects dominate the transpiration isoflux even when leaves are at physiological steady state. Our results suggest that a variable environment likely prevents ISS transpiration from being achieved and that this effect may be exacerbated by lengthy leaf water turnover times due to high leaf water contents. © 2013 John Wiley & Sons Ltd.

Detection-enhanced steady state entanglement with ions.

PubMed

Bentley, C D B; Carvalho, A R R; Kielpinski, D; Hope, J J

2014-07-25

Driven dissipative steady state entanglement schemes take advantage of coupling to the environment to robustly prepare highly entangled states. We present a scheme for two trapped ions to generate a maximally entangled steady state with fidelity above 0.99, appropriate for use in quantum protocols. Furthermore, we extend the scheme by introducing detection of our dissipation process, significantly enhancing the fidelity. Our scheme is robust to anomalous heating and requires no sympathetic cooling.

Steady-state MR imaging sequences: physics, classification, and clinical applications.

PubMed

Chavhan, Govind B; Babyn, Paul S; Jankharia, Bhavin G; Cheng, Hai-Ling M; Shroff, Manohar M

2008-01-01

Steady-state sequences are a class of rapid magnetic resonance (MR) imaging techniques based on fast gradient-echo acquisitions in which both longitudinal magnetization (LM) and transverse magnetization (TM) are kept constant. Both LM and TM reach a nonzero steady state through the use of a repetition time that is shorter than the T2 relaxation time of tissue. When TM is maintained as multiple radiofrequency excitation pulses are applied, two types of signal are formed once steady state is reached: preexcitation signal (S-) from echo reformation; and postexcitation signal (S+), which consists of free induction decay. Depending on the signal sampled and used to form an image, steady-state sequences can be classified as (a) postexcitation refocused (only S+ is sampled), (b) preexcitation refocused (only S- is sampled), and (c) fully refocused (both S+ and S- are sampled) sequences. All tissues with a reasonably long T2 relaxation time will show additional signals due to various refocused echo paths. Steady-state sequences have revolutionized cardiac imaging and have become the standard for anatomic functional cardiac imaging and for the assessment of myocardial viability because of their good signal-to-noise ratio and contrast-to-noise ratio and increased speed of acquisition. They are also useful in abdominal and fetal imaging and hold promise for interventional MR imaging. Because steady-state sequences are now commonly used in MR imaging, radiologists will benefit from understanding the underlying physics, classification, and clinical applications of these sequences.

Modeling of photon migration in the human lung using a finite volume solver

NASA Astrophysics Data System (ADS)

Sikorski, Zbigniew; Furmanczyk, Michal; Przekwas, Andrzej J.

2006-02-01

The application of the frequency domain and steady-state diffusive optical spectroscopy (DOS) and steady-state near infrared spectroscopy (NIRS) to diagnosis of the human lung injury challenges many elements of these techniques. These include the DOS/NIRS instrument performance and accurate models of light transport in heterogeneous thorax tissue. The thorax tissue not only consists of different media (e.g. chest wall with ribs, lungs) but its optical properties also vary with time due to respiration and changes in thorax geometry with contusion (e.g. pneumothorax or hemothorax). This paper presents a finite volume solver developed to model photon migration in the diffusion approximation in heterogeneous complex 3D tissues. The code applies boundary conditions that account for Fresnel reflections. We propose an effective diffusion coefficient for the void volumes (pneumothorax) based on the assumption of the Lambertian diffusion of photons entering the pleural cavity and accounting for the local pleural cavity thickness. The code has been validated using the MCML Monte Carlo code as a benchmark. The code environment enables a semi-automatic preparation of 3D computational geometry from medical images and its rapid automatic meshing. We present the application of the code to analysis/optimization of the hybrid DOS/NIRS/ultrasound technique in which ultrasound provides data on the localization of thorax tissue boundaries. The code effectiveness (3D complex case computation takes 1 second) enables its use to quantitatively relate detected light signal to absorption and reduced scattering coefficients that are indicators of the pulmonary physiologic state (hemoglobin concentration and oxygenation).

Time density curve analysis for C-arm FDCT PBV imaging

PubMed Central

Byrne, James V

2016-01-01

Introduction Parenchymal blood volume (PBV) estimation using C-arm flat detector computed tomography (FDCT) assumes a steady-state contrast concentration in cerebral vasculature for the scan duration. Using time density curve (TDC) analysis, we explored if the steady-state assumption is met for C-arm CT PBV scans, and how consistent the contrast-material dynamics in cerebral vasculature are across patients. Methods Thirty C-arm FDCT datasets of 26 patients with aneurysmal-SAH, acquired as part of a prospective study comparing C-arm CT PBV with MR-PWI, were analysed. TDCs were extracted from the 2D rotational projections. Goodness-of-fit of TDCs to a steady-state horizontal-line-model and the statistical similarity among the individual TDCs were tested. Influence of the differences in TDC characteristics on the agreement of resulting PBV measurements with MR-CBV was calculated. Results Despite identical scan parameters and contrast-injection-protocol, the individual TDCs were statistically non-identical (p < 0.01). Using Dunn's multiple comparisons test, of the total 435 individual comparisons among the 30 TDCs, 330 comparisons (62%) reached statistical significance for difference. All TDCs deviated significantly (p < 0.01) from the steady-state horizontal-line-model. PBV values of those datasets for which the TDCs showed largest deviations from the steady-state model demonstrated poor agreement and correlation with MR-CBV, compared with the PBV values of those datasets for which the TDCs were closer to steady-state. Conclusion For clinical C-arm CT PBV examinations, the administered contrast material does not reach the assumed ‘ideal steady-state’ for the duration of scan. Using a prolonged injection protocol, the degree to which the TDCs approximate the ideal steady-state influences the agreement of resulting PBV measurements with MR-CBV. PMID:26769736

Pressure Distribution and Performance Impacts of Aerospike Nozzles on Rotating Detonation Engines

DTIC Science & Technology

2017-06-01

design methodology at both on- and off-design conditions anticipated throughout the combustion cycle. Steady-state, non -reacting computational fluid...operation. Therefore, the nozzle contour was designed using a traditional, steady-state design methodology at both on- and off-design conditions...anticipated throughout the combustion cycle. Steady-state, non -reacting computational fluid dynamics (CFD) simulations were performed on various nozzle

Universal, computer facilitated, steady state oscillator, closed loop analysis theory and some applications to precision oscillators

NASA Technical Reports Server (NTRS)

Parzen, Benjamin

1992-01-01

The theory of oscillator analysis in the immittance domain should be read in conjunction with the additional theory presented here. The combined theory enables the computer simulation of the steady state oscillator. The simulation makes the calculation of the oscillator total steady state performance practical, including noise at all oscillator locations. Some specific precision oscillators are analyzed.

Steady state analysis of Boolean molecular network models via model reduction and computational algebra.

PubMed

Veliz-Cuba, Alan; Aguilar, Boris; Hinkelmann, Franziska; Laubenbacher, Reinhard

2014-06-26

A key problem in the analysis of mathematical models of molecular networks is the determination of their steady states. The present paper addresses this problem for Boolean network models, an increasingly popular modeling paradigm for networks lacking detailed kinetic information. For small models, the problem can be solved by exhaustive enumeration of all state transitions. But for larger models this is not feasible, since the size of the phase space grows exponentially with the dimension of the network. The dimension of published models is growing to over 100, so that efficient methods for steady state determination are essential. Several methods have been proposed for large networks, some of them heuristic. While these methods represent a substantial improvement in scalability over exhaustive enumeration, the problem for large networks is still unsolved in general. This paper presents an algorithm that consists of two main parts. The first is a graph theoretic reduction of the wiring diagram of the network, while preserving all information about steady states. The second part formulates the determination of all steady states of a Boolean network as a problem of finding all solutions to a system of polynomial equations over the finite number system with two elements. This problem can be solved with existing computer algebra software. This algorithm compares favorably with several existing algorithms for steady state determination. One advantage is that it is not heuristic or reliant on sampling, but rather determines algorithmically and exactly all steady states of a Boolean network. The code for the algorithm, as well as the test suite of benchmark networks, is available upon request from the corresponding author. The algorithm presented in this paper reliably determines all steady states of sparse Boolean networks with up to 1000 nodes. The algorithm is effective at analyzing virtually all published models even those of moderate connectivity. The problem for large Boolean networks with high average connectivity remains an open problem.

Steady state analysis of Boolean molecular network models via model reduction and computational algebra

PubMed Central

2014-01-01

Background A key problem in the analysis of mathematical models of molecular networks is the determination of their steady states. The present paper addresses this problem for Boolean network models, an increasingly popular modeling paradigm for networks lacking detailed kinetic information. For small models, the problem can be solved by exhaustive enumeration of all state transitions. But for larger models this is not feasible, since the size of the phase space grows exponentially with the dimension of the network. The dimension of published models is growing to over 100, so that efficient methods for steady state determination are essential. Several methods have been proposed for large networks, some of them heuristic. While these methods represent a substantial improvement in scalability over exhaustive enumeration, the problem for large networks is still unsolved in general. Results This paper presents an algorithm that consists of two main parts. The first is a graph theoretic reduction of the wiring diagram of the network, while preserving all information about steady states. The second part formulates the determination of all steady states of a Boolean network as a problem of finding all solutions to a system of polynomial equations over the finite number system with two elements. This problem can be solved with existing computer algebra software. This algorithm compares favorably with several existing algorithms for steady state determination. One advantage is that it is not heuristic or reliant on sampling, but rather determines algorithmically and exactly all steady states of a Boolean network. The code for the algorithm, as well as the test suite of benchmark networks, is available upon request from the corresponding author. Conclusions The algorithm presented in this paper reliably determines all steady states of sparse Boolean networks with up to 1000 nodes. The algorithm is effective at analyzing virtually all published models even those of moderate connectivity. The problem for large Boolean networks with high average connectivity remains an open problem. PMID:24965213

Existence of a new emitting singlet state of proflavine: femtosecond dynamics of the excited state processes and quantum chemical studies in different solvents.

PubMed

Kumar, Karuppannan Senthil; Selvaraju, Chellappan; Malar, Ezekiel Joy Padma; Natarajan, Paramasivam

2012-01-12

Proflavine (3,6-diaminoacridine) shows fluorescence emission with lifetime, 4.6 ± 0.2 ns, in all the solvents irrespective of the solvent polarity. To understand this unusual photophysical property, investigations were carried out using steady state and time-resolved fluorescence spectroscopy in the pico- and femtosecond time domain. Molecular geometries in the ground and low-lying excited states of proflavine were examined by complete structural optimization using ab initio quantum chemical computations at HF/6-311++G** and CIS/6-311++G** levels. Time dependent density functional theory (TDDFT) calculations were performed to study the excitation energies in the low-lying excited states. The steady state absorption and emission spectral details of proflavine are found to be influenced by solvents. The femtosecond fluorescence decay of the proflavine in all the solvents follows triexponential function with two ultrafast decay components (τ(1) and τ(2)) in addition to the nanosecond component. The ultrafast decay component, τ(1), is attributed to the solvation dynamics of the particular solvent used. The second ultrafast decay component, τ(2), is found to vary from 50 to 215 ps depending upon the solvent. The amplitudes of the ultrafast decay components vary with the wavelength and show time dependent spectral shift in the emission maximum. The observation is interpreted that the time dependent spectral shift is not only due to solvation dynamics but also due to the existence of more than one emitting state of proflavine in the solvent used. Time resolved area normalized emission spectral (TRANES) analysis shows an isoemissive point, indicating the presence of two emitting states in homogeneous solution. Detailed femtosecond fluorescence decay analysis allows us to isolate the two independent emitting components of the close lying singlet states. The CIS and TDDFT calculations also support the existence of the close lying emitting states. The near constant lifetime observed for proflavine in different solvents is suggested to be due to the similar dipole moments of the ground and the evolved emitting singlet state of the dye from the Franck-Condon excited state.

Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.

PubMed

Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy

2016-04-04

We report in this work a new family of homo- and heterobimetallic complexes of the type [(bpy)2M(Py-Biimz)M'(II)(bpy)2](2+) (M = M' = Ru(II) or Os(II); M = Ru(II) and M' = Os(II)) derived from a pyrenyl-biimidazole-based bridge, 2-imidazolylpyreno[4,5-d]imidazole (Py-BiimzH2). The homobimetallic Ru(II) and Os(II) complexes were found to crystallize in monoclinic form with space group P21/n. All the complexes exhibit strong absorptions throughout the entire UV-vis region and also exhibit luminescence at room temperature. For osmium-containing complexes (2 and 3) both the absorption and emission band stretched up to the NIR region and thus afford more biofriendly conditions for probable applications in infrared imaging and phototherapeutic studies. Detailed luminescence studies indicate that the emission originates from the respective (3)MLCT excited state mainly centered in the [M(bpy)2](2+) moiety of the complexes and is only slightly affected by the pyrene moiety. The bimetallic complexes show two successive one-electron reversible metal-centered oxidations in the positive potential window and several reduction processes in the negative potential window. An efficient intramolecular electronic energy transfer is found to occur from the Ru center to the Os-based component in the heterometallic dyad. The binding studies of the complexes with DNA were thoroughly studied through different spectroscopic techniques such as UV-vis absorption, steady-state and time-resolved emission, circular dichroism, and relative DNA binding study using ethidium bromide. The intercalative mode of binding was suggested to be operative in all cases. Finally, computational studies employing DFT and TD-DFT were also carried out to interpret the experimentally observed absorption and emission bands of the complexes.

Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

DOE PAGES

Liu, Da -Jiang; Evans, James W.

2015-04-02

We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO 2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure p CO, to a strongly-correlated near-O-covered steady-state for low p CO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low p CO.

The steady-state visual evoked potential in vision research: A review

PubMed Central

Norcia, Anthony M.; Appelbaum, L. Gregory; Ales, Justin M.; Cottereau, Benoit R.; Rossion, Bruno

2015-01-01

Periodic visual stimulation and analysis of the resulting steady-state visual evoked potentials were first introduced over 80 years ago as a means to study visual sensation and perception. From the first single-channel recording of responses to modulated light to the present use of sophisticated digital displays composed of complex visual stimuli and high-density recording arrays, steady-state methods have been applied in a broad range of scientific and applied settings.The purpose of this article is to describe the fundamental stimulation paradigms for steady-state visual evoked potentials and to illustrate these principles through research findings across a range of applications in vision science. PMID:26024451

Symmetry limit theory for cantilever beam-columns subjected to cyclic reversed bending

NASA Astrophysics Data System (ADS)

Uetani, K.; Nakamura, Tsuneyoshi

THE BEHAVIOR of a linear strain-hardening cantilever beam-column subjected to completely reversed plastic bending of a new idealized program under constant axial compression consists of three stages: a sequence of symmetric steady states, a subsequent sequence of asymmetric steady states and a divergent behavior involving unbounded growth of an anti-symmetric deflection mode. A new concept "symmetry limit" is introduced here as the smallest critical value of the tip-deflection amplitude at which transition from a symmetric steady state to an asymmetric steady state can occur in the response of a beam-column. A new theory is presented for predicting the symmetry limits. Although this transition phenomenon is phenomenologically and conceptually different from the branching phenomenon on an equilibrium path, it is shown that a symmetry limit may theoretically be regarded as a branching point on a "steady-state path" defined anew. The symmetry limit theory and the fundamental hypotheses are verified through numerical analysis of hysteretic responses of discretized beam-column models.

A general theory of kinetics and thermodynamics of steady-state copolymerization.

PubMed

Shu, Yao-Gen; Song, Yong-Shun; Ou-Yang, Zhong-Can; Li, Ming

2015-06-17

Kinetics of steady-state copolymerization has been investigated since the 1940s. Irreversible terminal and penultimate models were successfully applied to a number of comonomer systems, but failed for systems where depropagation is significant. Although a general mathematical treatment of the terminal model with depropagation was established in the 1980s, a penultimate model and higher-order terminal models with depropagation have not been systematically studied, since depropagation leads to hierarchically-coupled and unclosed kinetic equations which are hard to solve analytically. In this work, we propose a truncation method to solve the steady-state kinetic equations of any-order terminal models with depropagation in a unified way, by reducing them into closed steady-state equations which give the exact solution of the original kinetic equations. Based on the steady-state equations, we also derive a general thermodynamic equality in which the Shannon entropy of the copolymer sequence is explicitly introduced as part of the free energy dissipation of the whole copolymerization system.

Molecular control of steady-state dendritic cell maturation and immune homeostasis.

PubMed

Hammer, Gianna Elena; Ma, Averil

2013-01-01

Dendritic cells (DCs) are specialized sentinels responsible for coordinating adaptive immunity. This function is dependent upon coupled sensitivity to environmental signs of inflammation and infection to cellular maturation-the programmed alteration of DC phenotype and function to enhance immune cell activation. Although DCs are thus well equipped to respond to pathogens, maturation triggers are not unique to infection. Given that immune cells are exquisitely sensitive to the biological functions of DCs, we now appreciate that multiple layers of suppression are required to restrict the environmental sensitivity, cellular maturation, and even life span of DCs to prevent aberrant immune activation during the steady state. At the same time, steady-state DCs are not quiescent but rather perform key functions that support homeostasis of numerous cell types. Here we review these functions and molecular mechanisms of suppression that control steady-state DC maturation. Corruption of these steady-state operatives has diverse immunological consequences and pinpoints DCs as potent drivers of autoimmune and inflammatory disease.

Lineage tracing of murine adult hematopoietic stem cells reveals active contribution to steady-state hematopoiesis

PubMed Central

Chapple, Richard H.; Tseng, Yu-Jung; Hu, Tianyuan; Kitano, Ayumi; Takeichi, Makiko; Hoegenauer, Kevin A.

2018-01-01

Characterization of hematopoietic stem cells (HSCs) has advanced largely owing to transplantation assays, in which the developmental potential of HSCs is assessed generally in nonhomeostatic conditions. These studies established that adult HSCs extensively contribute to multilineage hematopoietic regeneration upon transplantation. On the contrary, recent studies performing lineage tracing of HSCs under homeostatic conditions have shown that adult HSCs may contribute far less to steady-state hematopoiesis than would be anticipated based on transplantation assays. Here, we used 2 independent HSC-lineage–tracing models to examine the contribution of adult HSCs to steady-state hematopoiesis. We show that adult HSCs contribute robustly to steady-state hematopoiesis, exhibiting faster efflux toward the myeloid lineages compared with lymphoid lineages. Platelets were robustly labeled by HSCs, reaching the same level of labeling as HSCs by 1 year of chase. Our results support the view that adult HSCs contribute to the continuous influx of blood cells during steady-state hematopoiesis. PMID:29848758

Steady State Condition in the Measurement of VO2and VCO2by Indirect Calorimetry.

PubMed

Cadena, M; Sacristan, E; Infante, O; Escalante, B; Rodriguez, F

2005-01-01

Resting Metabolic Rate (RMR) is computed using VO2and VCO2short time 15-minute window measurement with Indirect Calorimetry (IC) instruments designed with mixing chamber. Steady state condition using a 10% variation coefficient criteria is the main objective to achieve metabolic long time prediction reliability. This study address how susceptible is the steady state VO2, VCO2measurement condition to the clino-orthostatic physiological maneuver. 30 young healthy subjects were analyzed. Only 18 passed the 10% variation coefficient inclusive criteria. They were exposed to 10 minutes clino-stage and 10 minutes orthostage. The hypothesis tests show not statistical significance (p< 0.1) in the average and variance analysis. It is concluded that the steady state is not influenced by the patient position IC test, probably because IC mixing chamber instruments are insensitive to detect a mayor physiological dynamics changes that can modify the steady state definition.

Einstein's steady-state theory: an abandoned model of the cosmos

NASA Astrophysics Data System (ADS)

O'Raifeartaigh, Cormac; McCann, Brendan; Nahm, Werner; Mitton, Simon

2014-09-01

We present a translation and analysis of an unpublished manuscript by Albert Einstein in which he attempted to construct a `steady-state' model of the universe. The manuscript, which appears to have been written in early 1931, demonstrates that Einstein once explored a cosmic model in which the mean density of matter in an expanding universe is maintained constant by the continuous formation of matter from empty space. This model is very different to previously known Einsteinian models of the cosmos (both static and dynamic) but anticipates the later steady-state cosmology of Hoyle, Bondi and Gold in some ways. We find that Einstein's steady-state model contains a fundamental flaw and suggest that it was abandoned for this reason. We also suggest that he declined to explore a more sophisticated version because he found such theories rather contrived. The manuscript is of historical interest because it reveals that Einstein debated between steady-state and evolving models of the cosmos decades before a similar debate took place in the cosmological community.

Ultrafast investigation of photoinduced charge transfer in aminoanthraquinone pharmaceutical product

NASA Astrophysics Data System (ADS)

Zhang, Song; Sun, Simei; Zhou, Miaomiao; Wang, Lian; Zhang, Bing

2017-02-01

We investigated the mechanism of intramolecular charge transfer and the following radiationless dynamics of the excited states of 1-aminoanthraquinone using steady state and time-resolved absorption spectroscopy combined with quantum chemical calculations. Following photoexcitation with 460 nm, conformational relaxation via twisting of the amino group, charge transfer and the intersystem crossing (ISC) processes have been established to be the major relaxation pathways responsible for the ultrafast nonradiative of the excited S1 state. Intramolecular proton transfer, which could be induced by intramolecular hydrogen bonding is inspected and excluded. Time-dependent density functional theory (TDDFT) calculations reveal the change of the dipole moments of the S0 and S1 states along the twisted coordinate of the amino group, indicating the mechanism of twisted intra-molecular charge transfer (TICT). The timescale of TICT is measured to be 5 ps due to the conformational relaxation and a barrier on the S1 potential surface. The ISC from the S1 state to the triplet manifold is a main deactivation pathway with the decay time of 28 ps. Our results observed here have yield a physically intuitive and complete picture of the photoinduced charge transfer and radiationless dynamics in anthraquinone pharmaceutial products.

A Poisson-like closed-form expression for the steady-state wealth distribution in a kinetic model of gambling

NASA Astrophysics Data System (ADS)

Garcia, Jane Bernadette Denise M.; Esguerra, Jose Perico H.

2017-08-01

An approximate but closed-form expression for a Poisson-like steady state wealth distribution in a kinetic model of gambling was formulated from a finite number of its moments, which were generated from a βa,b(x) exchange distribution. The obtained steady-state wealth distributions have tails which are qualitatively similar to those observed in actual wealth distributions.

The relationship between skin aging and steady state ultraweak photon emission as an indicator of skin oxidative stress in vivo.

PubMed

Gabe, Y; Osanai, O; Takema, Y

2014-08-01

Ultraweak photon emission (UPE) is one potential method to evaluate the oxidative status of the skin in vivo. However, little is known about how the daily oxidative stress of the skin is related to skin aging-related alterations in vivo. We characterized the steady state UPE and performed a skin survey. We evaluated the skin oxidative status by UPE, skin elasticity, epidermal thickness and skin color on the inner upper arm, the outer forearm, and the buttock of 70 Japanese volunteers. The steady state UPE at the three skin sites increased with age. Correlation analysis revealed that the steady state UPE only from the buttock was related to skin elasticity, which showed age-dependent changes. Moreover, analysis by age group indicated that b* values of the inner upper arm of subjects in their 20s were inversely correlated with UPE as occurred in buttock skin. In contrast, photoaged skin did not show a clear relationship with steady state UPE because the accumulation of sun-exposure might influence the sensitivity to oxidative stress. These results suggest that steady state UPE reflects not only intrinsic skin aging and cutaneous color but also the current oxidative status independent of skin aging. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Evaporation rate of nucleating clusters.

PubMed

Zapadinsky, Evgeni

2011-11-21

The Becker-Döring kinetic scheme is the most frequently used approach to vapor liquid nucleation. In the present study it has been extended so that master equations for all cluster configurations are included into consideration. In the Becker-Döring kinetic scheme the nucleation rate is calculated through comparison of the balanced steady state and unbalanced steady state solutions of the set of kinetic equations. It is usually assumed that the balanced steady state produces equilibrium cluster distribution, and the evaporation rates are identical in the balanced and unbalanced steady state cases. In the present study we have shown that the evaporation rates are not identical in the equilibrium and unbalanced steady state cases. The evaporation rate depends on the number of clusters at the limit of the cluster definition. We have shown that the ratio of the number of n-clusters at the limit of the cluster definition to the total number of n-clusters is different in equilibrium and unbalanced steady state cases. This causes difference in evaporation rates for these cases and results in a correction factor to the nucleation rate. According to rough estimation it is 10(-1) by the order of magnitude and can be lower if carrier gas effectively equilibrates the clusters. The developed approach allows one to refine the correction factor with Monte Carlo and molecular dynamic simulations.

Perception of steady-state vowels and vowelless syllables by adults and children

NASA Astrophysics Data System (ADS)

Nittrouer, Susan

2005-04-01

Vowels can be produced as long, isolated, and steady-state, but that is not how they are found in natural speech. Instead natural speech consists of almost continuously changing (i.e., dynamic) acoustic forms from which mature listeners recover underlying phonetic form. Some theories suggest that children need steady-state information to recognize vowels (and so learn vowel systems), even though that information is sparse in natural speech. The current study examined whether young children can recover vowel targets from dynamic forms, or whether they need steady-state information. Vowel recognition was measured for adults and children (3, 5, and 7 years) for natural productions of /dæd/, /dUd/ /æ/, /U/ edited to make six stimulus sets: three dynamic (whole syllables; syllables with middle 50-percent replaced by cough; syllables with all but the first and last three pitch periods replaced by cough), and three steady-state (natural, isolated vowels; reiterated pitch periods from those vowels; reiterated pitch periods from the syllables). Adults scored nearly perfectly on all but first/last three pitch period stimuli. Children performed nearly perfectly only when the entire syllable was heard, and performed similarly (near 80%) for all other stimuli. Consequently, children need dynamic forms to perceive vowels; steady-state forms are not preferred.

A stability analysis of the power-law steady state of marine size spectra.

PubMed

Datta, Samik; Delius, Gustav W; Law, Richard; Plank, Michael J

2011-10-01

This paper investigates the stability of the power-law steady state often observed in marine ecosystems. Three dynamical systems are considered, describing the abundance of organisms as a function of body mass and time: a "jump-growth" equation, a first order approximation which is the widely used McKendrick-von Foerster equation, and a second order approximation which is the McKendrick-von Foerster equation with a diffusion term. All of these yield a power-law steady state. We derive, for the first time, the eigenvalue spectrum for the linearised evolution operator, under certain constraints on the parameters. This provides new knowledge of the stability properties of the power-law steady state. It is shown analytically that the steady state of the McKendrick-von Foerster equation without the diffusion term is always unstable. Furthermore, numerical plots show that eigenvalue spectra of the McKendrick-von Foerster equation with diffusion give a good approximation to those of the jump-growth equation. The steady state is more likely to be stable with a low preferred predator:prey mass ratio, a large diet breadth and a high feeding efficiency. The effects of demographic stochasticity are also investigated and it is concluded that these are likely to be small in real systems.

EEMD-Based Steady-State Indexes and Their Applications to Condition Monitoring and Fault Diagnosis of Railway Axle Bearings

PubMed Central

Fan, Wei; Tsui, Kwok-Leung; Lin, Jianhui

2018-01-01

Railway axle bearings are one of the most important components used in vehicles and their failures probably result in unexpected accidents and economic losses. To realize a condition monitoring and fault diagnosis scheme of railway axle bearings, three dimensionless steadiness indexes in a time domain, a frequency domain, and a shape domain are respectively proposed to measure the steady states of bearing vibration signals. Firstly, vibration data collected from some designed experiments are pre-processed by using ensemble empirical mode decomposition (EEMD). Then, the coefficient of variation is introduced to construct two steady-state indexes from pre-processed vibration data in a time domain and a frequency domain, respectively. A shape function is used to construct a steady-state index in a shape domain. At last, to distinguish normal and abnormal bearing health states, some guideline thresholds are proposed. Further, to identify axle bearings with outer race defects, a pin roller defect, a cage defect, and coupling defects, the boundaries of all steadiness indexes are experimentally established. Experimental results showed that the proposed condition monitoring and fault diagnosis scheme is effective in identifying different bearing health conditions. PMID:29495446

Bipolar pulse field for magnetic refrigeration

DOEpatents

Lubell, Martin S.

1994-01-01

A magnetic refrigeration apparatus includes first and second steady state magnets, each having a field of substantially equal strength and opposite polarity, first and second bodies made of magnetocaloric material disposed respectively in the influence of the fields of the first and second steady state magnets, and a pulsed magnet, concentric with the first and second steady state magnets, and having a field which cycles between the fields of the first and second steady state magnets, thereby cyclically magnetizing and demagnetizing and thus heating and cooling the first and second bodies. Heat exchange apparatus of suitable design can be used to expose a working fluid to the first and second bodies of magnetocaloric material. A controller is provided to synchronize the flow of working fluid with the changing states of magnetization of the first and second bodies.

Effects of surface and interface traps on exciton and multi-exciton dynamics in core/shell quantum dots

NASA Astrophysics Data System (ADS)

Bozio, Renato; Righetto, Marcello; Minotto, Alessandro

2017-08-01

Exciton interactions and dynamics are the most important factors determining the exceptional photophysical properties of semiconductor quantum dots (QDs). In particular, best performances have been obtained for ingeniously engineered core/shell QDs. We have studied two factors entering in the exciton decay dynamics with adverse effects for the luminescence efficiency: exciton trapping at surface and interface traps, and non-radiative Auger recombination in QDs carrying either net charges or multiple excitons. In this work, we present a detailed study into the optical absorption, fluorescence dynamics and quantum yield, as well as ultrafast transient absorption properties of CdSe/CdS, CdSe/Cd0.5Zn0.5S, and CdSe/ZnS QDs as a function of shell thickness. It turns out that de-trapping processes play a pivotal role in determining steady state emission properties. By studying the excitation dependent photoluminescence quantum yields (PLQY) in different CdSe/CdxZn1-xS (x = 0, 0.5, 1) QDs, we demonstrate the different role played by hot and cold carrier trapping rates in determining fluorescence quantum yields. Finally, the use of global analysis allows us untangling the complex ultrafast transient absorption signals. Smoothing of interface potential, together with effective surface passivation, appear to be crucial factors in slowing down both Auger-based and exciton trapping recombination processes.

Prediction of Human Pharmacokinetic Profile After Transdermal Drug Application Using Excised Human Skin.

PubMed

Yamamoto, Syunsuke; Karashima, Masatoshi; Arai, Yuta; Tohyama, Kimio; Amano, Nobuyuki

2017-09-01

Although several mathematical models have been reported for the estimation of human plasma concentration profiles of drug substances after dermal application, the successful cases that can predict human pharmacokinetic profiles are limited. Therefore, the aim of this study is to investigate the prediction of human plasma concentrations after dermal application using in vitro permeation parameters obtained from excised human skin. The in vitro skin permeability of 7 marketed drug products was evaluated. The plasma concentration-time profiles of the drug substances in humans after their dermal application were simulated using compartment models and the clinical pharmacokinetic parameters. The transdermal process was simulated using the in vitro skin permeation rate and lag time assuming a zero-order absorption. These simulated plasma concentration profiles were compared with the clinical data. The result revealed that the steady-state plasma concentration of diclofenac and the maximum concentrations of nicotine, bisoprolol, rivastigmine, and lidocaine after topical application were within 2-fold of the clinical data. Furthermore, the simulated concentration profiles of bisoprolol, nicotine, and rivastigmine reproduced the decrease in absorption due to drug depletion from the formulation. In conclusion, this simple compartment model using in vitro human skin permeation parameters as zero-order absorption predicted the human plasma concentrations accurately. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Photoproduction of hydrated electrons from natural organic solutes in aquatic environments

USGS Publications Warehouse

Zepp, R.G.; Braun, A.M.; Hoigne, J.; Leenheer, J.A.

1987-01-01

Laser flash photolysis was used to investigate the transients formed on absorption of 355-nm light by dissolved organic matter (DOM) from natural water bodies and from soil. Absorption spectra and quenching studies of the transients provided confirming evidence that hydrated electrons were formed by all of the DOM that were studied. The DOM from the Suwannee River in Georgia and from the Greifensee, a Swiss lake, exhibited great variability in light-absorbing properties. Despite this high variability in absorption coefficients, the primary quantum yields for electron ejection from the Greifensee and Suwannee DOM fell in a narrow range (0.005-0.008). Steady-state irradiations (355 nm) of the DOM with 2-chloroethanol (0.02 M) present as an electron scavenger produced chloride ions with quantum yields that were about 2 orders of magnitude lower than the primary quantum yields. This result indicates that most of the photoejected electrons recombine with cations before escaping into bulk solution. Irradiations of DOM solutions under sunlight (April, latitude 34?? N) photoproduced electrons at rates falling in the range of 0.2-0.4 ??mol/[(mg of DOC) h]. These results indicate that hydrated electrons can play a significant role in the environmental photoreduction of persistent, electronegative pollutants but may be relatively unimportant in the environmental production of hydrogen peroxide. ?? 1987 American Chemical Society.

Steady State Advanced Tokamak (SSAT): The mission and the machine

NASA Astrophysics Data System (ADS)

Thomassen, K.; Goldston, R.; Nevins, B.; Neilson, H.; Shannon, T.; Montgomery, B.

1992-03-01

Extending the tokamak concept to the steady state regime and pursuing advances in tokamak physics are important and complementary steps for the magnetic fusion energy program. The required transition away from inductive current drive will provide exciting opportunities for advances in tokamak physics, as well as important impetus to drive advances in fusion technology. Recognizing this, the Fusion Policy Advisory Committee and the U.S. National Energy Strategy identified the development of steady state tokamak physics and technology, and improvements in the tokamak concept, as vital elements in the magnetic fusion energy development plan. Both called for the construction of a steady state tokamak facility to address these plan elements. Advances in physics that produce better confinement and higher pressure limits are required for a similar unit size reactor. Regimes with largely self-driven plasma current are required to permit a steady-state tokamak reactor with acceptable recirculating power. Reliable techniques of disruption control will be needed to achieve the availability goals of an economic reactor. Thus the central role of this new tokamak facility is to point the way to a more attractive demonstration reactor (DEMO) than the present data base would support. To meet the challenges, we propose a new 'Steady State Advanced Tokamak' (SSAT) facility that would develop and demonstrate optimized steady state tokamak operating mode. While other tokamaks in the world program employ superconducting toroidal field coils, SSAT would be the first major tokamak to operate with a fully superconducting coil set in the elongated, divertor geometry planned for ITER and DEMO.

Is steady-state capitalism viable? A review of the issues and an answer in the affirmative.

PubMed

Lawn, Philip

2011-02-01

Most ecological economists believe that the transition to a steady-state economy is necessary to ensure ecological sustainability and to maximize a nation's economic welfare. While some observers agree with the necessity of the steady-state economy, they are nonetheless critical of the suggestion made by ecological economists-in particular, Herman Daly-that a steady-state economy is compatible with a capitalist system. First, they believe that steady-state capitalism is based on the untenable assumption that growth is an optional rather than in-built element of capitalism. Second, they argue that capitalist notions of efficient resource allocation are too restrictive to facilitate the transition to an "ecological" or steady-state economy. I believe these observers are outright wrong with their first criticism and, because they misunderstand Daly's vision of a steady-state economy, are misplaced with their second criticism. The nature of a capitalist system depends upon the institutional framework that supports and shapes it. Hence, a capitalist system can exist in a wide variety of forms. Unfortunately, many observers fail to recognize that the current "growth imperative" is the result of capitalist systems everywhere being institutionally designed to grow. They need not be designed this way to survive and thrive. Indeed, because continued growth is both existentially undesirable and ecologically unsustainable, redesigning capitalist systems through the introduction of Daly-like institutions would prove to be capitalism's savior. What's more, it would constitute humankind's best hope of achieving sustainable development. © 2011 New York Academy of Sciences.

Understanding emotional transitions: the interpersonal consequences of changing emotions in negotiations.

PubMed

Filipowicz, Allan; Barsade, Sigal; Melwani, Shimul

2011-09-01

Research on the interpersonal functions of emotions has focused primarily on steady-state emotion rather than on emotional transitions, the movement between emotion states. The authors examined the influence of emotional transitions on social interactions and found that emotional transitions led to consistently different outcomes than their corresponding steady-state emotions. Across 2 computer-mediated negotiations and a face-to-face negotiation, participants negotiating with partners who displayed a "becoming angry" (happy to angry) emotional transition accepted worse negotiation outcomes yet formed better relational impressions of their partners than participants negotiating with partners who displayed steady-state anger. This relationship was mediated through 2 mechanisms: attributional and emotional contagion processes. The "becoming happy" (angry to happy) emotional transition as compared with steady-state happiness was not significantly related to differences in negotiation outcomes but was significantly related to differences in relational impressions, where perceivers of the "becoming happy" emotional transition gave their partners lower relational impression ratings than perceivers of steady-state happiness. PsycINFO Database Record (c) 2011 APA, all rights reserved.

Quantized transport and steady states of Floquet topological insulators

NASA Astrophysics Data System (ADS)

Esin, Iliya; Rudner, Mark S.; Refael, Gil; Lindner, Netanel H.

2018-06-01

Robust electronic edge or surface modes play key roles in the fascinating quantized responses exhibited by topological materials. Even in trivial materials, topological bands and edge states can be induced dynamically by a time-periodic drive. Such Floquet topological insulators (FTIs) inherently exist out of equilibrium; the extent to which they can host quantized transport, which depends on the steady-state population of their dynamically induced edge states, remains a crucial question. In this work, we obtain the steady states of two-dimensional FTIs in the presence of the natural dissipation mechanisms present in solid state systems. We give conditions under which the steady-state distribution resembles that of a topological insulator in the Floquet basis. In this state, the distribution in the Floquet edge modes exhibits a sharp feature akin to a Fermi level, while the bulk hosts a small density of excitations. We determine the regimes where topological edge-state transport persists and can be observed in FTIs.

Sequential and selective localized optical heating in water via on-chip dielectric nanopatterning.

PubMed

Morsy, Ahmed M; Biswas, Roshni; Povinelli, Michelle L

2017-07-24

We study the use of nanopatterned silicon membranes to obtain optically-induced heating in water. We show that by varying the detuning between an absorptive optical resonance of the patterned membrane and an illumination laser, both the magnitude and response time of the temperature rise can be controlled. This allows for either sequential or selective heating of different patterned areas on chip. We obtain a steady-state temperature of approximately 100 °C for a 805.5nm CW laser power density of 66 µW/μm 2 and observe microbubble formation. The ability to spatially and temporally control temperature on the microscale should enable the study of heat-induced effects in a variety of chemical and biological lab-on-chip applications.

An analytic solution of the radiative transfer equation for a gray scattering atmosphere in motion

NASA Astrophysics Data System (ADS)

Pistinner, Shlomi; Shaviv, Giora

1994-12-01

We provide a formal analytic solution of the radiative transfer equation for a gray moving atmosphere in a plane parallel geometry. A formal solution in the diffusion and the free-streaming limit is also provided in the case of a spherically extended atmosphere. The formal solutions are written explicitly for scattering atmospheres in which the density and the velocity fields are given by a power law. A self-consistent temperature profile accurate to O(Beta = v/c) is provided for the case in which the absorption or the scattering are temperature independent. The gray extinction temperature profile is considerably simplified in the case of a scattering atmosphere. Steady state flow and homologous expansion are special cases that are considered in detail.

An analytic solution of the radiative transfer equation for a gray scattering atmosphere in motion

NASA Technical Reports Server (NTRS)

Pistinner, Shlomi; Shaviv, Giora

1994-01-01

We provide a formal analytic solution of the radiative transfer equation for a gray moving atmosphere in a plane parallel geometry. A formal solution in the diffusion and the free-streaming limit is also provided in the case of a spherically extended atmosphere. The formal solutions are written explicitly for scattering atmospheres in which the density and the velocity fields are given by a power law. A self-consistent temperature profile accurate to O(Beta = v/c) is provided for the case in which the absorption or the scattering are temperature independent. The gray extinction temperature profile is considerably simplified in the case of a scattering atmosphere. Steady state flow and homologous expansion are special cases that are considered in detail.

Hygrothermal damage mechanisms in graphite-epoxy composites

NASA Technical Reports Server (NTRS)

Crossman, F. W.; Mauri, R. E.; Warren, W. J.

1979-01-01

T300/5209 and T300/5208 graphite epoxy laminates were studied experimentally and analytically in order to: (1) determine the coupling between applied stress, internal residual stress, and moisture sorption kinetics; (2) examine the microscopic damage mechanisms due to hygrothermal cycling; (3) evaluate the effect of absorbed moisture and hygrothermal cycling on inplane shear response; (4) determine the permanent loss of interfacial bond strength after moisture absorption and drying; and (5) evaluate the three dimensional stress state in laminates under a combination of hygroscopic, thermal, and mechanical loads. Specimens were conditioned to equilibrium moisture content under steady exposure to 55% or 95% RH at 70 C or 93 C. Some specimens were tested subsequent to moisture conditioning and 100 cycles between -54 C and either 70 C or 93 C.

Infrared spectroscopy of radiation-chemical transformation of n-hexane on a beryllium surface

NASA Astrophysics Data System (ADS)

Gadzhieva, N. N.

2017-07-01

The radiation-chemical decomposition of n-hexane in a Be- n-hexane system under the effect of γ-irradiation at room temperature is studied by infrared reflection-absorption spectroscopy. In the absorbed dose range 5 kGy ≤ Vγ ≤ 50 kGy, intermediate surface products of radiation-heterogeneous decomposition of n-hexane (beryllium alkyls, π-olefin complexes, and beryllium hydrides) are detected. It is shown that complete radiolysis occurs at Vγ = 30 kGy; below this dose, decomposition of n-hexane occurs only partially, while higher doses lead to steady-state saturation. The radiation-chemical yield of the final decomposition product—molecular hydrogen—is determined to be G ads(H2) = 24.8 molecules/100 eV. A possible mechanism of this process is discussed.

Climatic effects due to halogenated compounds in the earth's atmosphere

NASA Technical Reports Server (NTRS)

Wang, W.-C.; Pinto, J. P.; Yung, Y. L.

1980-01-01

Using a one-dimensional radiative-convective model, a sensitivity study is performed of the effect of ozone depletion in the stratosphere on the surface temperature. There could be a cooling of the surface temperature by approximately 0.2 K due to chlorofluoromethane-induced ozone depletion at steady state (assuming 1973 release rates). This cooling reduces significantly the greenhouse effect due to the presence of chlorofluoromethanes. Carbon tetrafluoride has a strong nu sub 3 band at 7.8 microns, and the atmospheric greenhouse effect is shown to be 0.07 and 0.12 K/ppbv with and without taking into account overlap with CH4 and N2O bands. At concentrations higher than 1 ppbv, absorption by the nu sub 3 band starts to saturate and the greenhouse effect becomes less efficient.

Analysis of the binding interaction in uric acid - Human hemoglobin system by spectroscopic techniques

NASA Astrophysics Data System (ADS)

Makarska-Bialokoz, Magdalena

2017-05-01

The binding interaction between human hemoglobin and uric acid has been studied for the first time, by UV-vis absorption and steady-state, synchronous and three-dimensional fluorescence techniques. Characteristic effects observed for human hemoglobin intrinsic fluorescence during interaction with uric acid at neutral pH point at the formation of stacking non-covalent and non-fluorescent complexes. All the calculated parameters, the binding, fluorescence quenching and bimolecular quenching rate constants, as well as Förster resonance energy transfer parameters confirm the existence of static quenching. The results of synchronous fluorescence measurements indicate that the fluorescence quenching of human hemoglobin originates both from Trp and Tyr residues and that the addition of uric acid could significantly hinder the physiological functions of human hemoglobin.

Formation of Long-Lived Color Centers for Broadband Visible Light Emission in Low-Dimensional Layered Perovskites.

PubMed

Booker, Edward P; Thomas, Tudor H; Quarti, Claudio; Stanton, Michael R; Dashwood, Cameron D; Gillett, Alexander J; Richter, Johannes M; Pearson, Andrew J; Davis, Nathaniel J L K; Sirringhaus, Henning; Price, Michael B; Greenham, Neil C; Beljonne, David; Dutton, Siân E; Deschler, Felix

2017-12-27

We investigate the origin of the broadband visible emission in layered hybrid lead-halide perovskites and its connection with structural and photophysical properties. We study ⟨001⟩ oriented thin films of hexylammonium (HA) lead iodide, (C 6 H 16 N) 2 PbI 4 , and dodecylammonium (DA) lead iodide, (C 12 H 28 N) 2 PbI 4 , by combining first-principles simulations with time-resolved photoluminescence, steady-state absorption and X-ray diffraction measurements on cooling from 300 to 4 K. Ultrafast transient absorption and photoluminescence measurements are used to track the formation and recombination of emissive states. In addition to the excitonic photoluminescence near the absorption edge, we find a red-shifted, broadband (full-width at half-maximum of about 0.4 eV), emission band below 200 K, similar to emission from ⟨110⟩ oriented bromide 2D perovskites at room temperature. The lifetime of this sub-band-gap emission exceeds that of the excitonic transition by orders of magnitude. We use X-ray diffraction measurements to study the changes in crystal lattice with temperature. We report changes in the octahedral tilt and lattice spacing in both materials, together with a phase change around 200 K in DA 2 PbI 4 . DFT simulations of the HA 2 PbI 4 crystal structure indicate that the low-energy emission is due to interstitial iodide and related Frenkel defects. Our results demonstrate that white-light emission is not limited to ⟨110⟩ oriented bromide 2D perovskites but a general property of this class of system, and highlight the importance of defect control for the formation of low-energy emissive sites, which can provide a pathway to design tailored white-light emitters.

Performance Improvement of Polymer Solar Cells by Surface-Energy-Induced Dual Plasmon Resonance.

PubMed

Yao, Mengnan; Shen, Ping; Liu, Yan; Chen, Boyuan; Guo, Wenbin; Ruan, Shengping; Shen, Liang

2016-03-09

The surface plasmon resonance (SPR) effect of metal nanoparticles (MNPs) is effectively applied on polymer solar cells (PSCs) to improve power conversion efficiency (PCE). However, universality of the reported results mainly focused on utilizing single type of MNPs to enhance light absorption only in specific narrow wavelength range. Herein, a surface-energy-induced dual MNP plasmon resonance by thermally evaporating method was presented to achieve the absorption enhancement in wider range. The differences of surface energy between silver (Ag), gold (Au), and tungsten trioxide (WO3) compared by contact angle images enable Ag and Au prefer to respectively aggregate into isolated islands rather than films at the initial stage of the evaporation process, which was clearly demonstrated in the atomic force microscopy (AFM) measurement. The sum of plasmon-enhanced wavelength range induced by both Ag NPs (350-450 nm) and Au NPs (450-600 nm) almost cover the whole absorption spectra of active layers, which compatibly contribute a significant efficiency improvement from 4.57 ± 0.16 to 6.55 ± 0.12% compared to the one without MNPs. Besides, steady state photoluminescence (PL) measurements provide strong evidence that the SPR induced by the Ag-Au NPs increase the intensity of light absorption. Finally, ultraviolet photoelectron spectroscopy (UPS) reveals that doping Au and Ag causes upper shift of both the work function and valence band of WO3, which is directly related to hole collection ability. We believe the surface-energy-induced dual plasmon resonance enhancement by simple thermally evaporating technique might pave the way toward higher-efficiency PSCs.

Exploiting the benefit of S0 → T1 excitation in triplet-triplet annihilation upconversion to attain large anti-stokes shifts: tuning the triplet state lifetime of a tris(2,2'-bipyridine) osmium(ii) complex.

PubMed

Liu, Dongyi; Zhao, Yingjie; Wang, Zhijia; Xu, Kejing; Zhao, Jianzhang

2018-03-07

Os(ii) complexes are particularly interesting for triplet-triplet annihilation (TTA) upconversion, due to the strong direct S 0 → T 1 photoexcitation, as in this way, energy loss is minimized and large anti-Stokes shift can be achieved for TTA upconversion. However, Os(bpy) 3 has an intrinsic short T 1 state lifetime (56 ns), which is detrimental for the intermolecular triplet-triplet energy transfer (TTET), one of the crucial steps in TTA upconversion. In order to prolong the triplet state lifetime, we prepared an Os(ii) tris(bpy) complex with a Bodipy moiety attached, so that an extended T 1 state lifetime is achieved by excited state electronic configuration mixing or triplet state equilibrium between the coordination center-localized state ( 3 MLCT state) and Bodipy ligand-localized state ( 3 IL state). With steady-state and time-resolved transient absorption/emission spectroscopy, we proved that the 3 MLCT is slightly above the 3 IL state (by 0.05 eV), and the triplet state lifetime was prolonged by 31-fold (from 56 ns to 1.73 μs). The TTA upconversion quantum yield was increased by 4-fold as compared to that of the unsubstituted Os(ii) complex.

Spurious Numerical Solutions Of Differential Equations

NASA Technical Reports Server (NTRS)

Lafon, A.; Yee, H. C.

1995-01-01

Paper presents detailed study of spurious steady-state numerical solutions of differential equations that contain nonlinear source terms. Main objectives of this study are (1) to investigate how well numerical steady-state solutions of model nonlinear reaction/convection boundary-value problem mimic true steady-state solutions and (2) to relate findings of this investigation to implications for interpretation of numerical results from computational-fluid-dynamics algorithms and computer codes used to simulate reacting flows.

Electronic transport characterization of silicon wafers by spatially resolved steady-state photocarrier radiometric imaging

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

Wang, Qian; University of the Chinese Academy of Sciences, Beijing 100039; Li, Bincheng, E-mail: bcli@ioe.ac.cn

2015-09-28

Spatially resolved steady-state photocarrier radiometric (PCR) imaging technique is developed to characterize the electronic transport properties of silicon wafers. Based on a nonlinear PCR theory, simulations are performed to investigate the effects of electronic transport parameters (the carrier lifetime, the carrier diffusion coefficient, and the front surface recombination velocity) on the steady-state PCR intensity profiles. The electronic transport parameters of an n-type silicon wafer are simultaneously determined by fitting the measured steady-state PCR intensity profiles to the three-dimensional nonlinear PCR model. The determined transport parameters are in good agreement with the results obtained by the conventional modulated PCR technique withmore » multiple pump beam radii.« less

A Waved Journal Bearing Concept-Evaluating Steady-State and Dynamic Performance with a Potential Active Control Alternative

NASA Technical Reports Server (NTRS)

Dimofte, Florin

1993-01-01

Analysis of the waved journal bearing concept featuring a waved inner bearing diameter for use with a compressible lubricant (gas) is presented. The performance of generic waved bearings having either three or four waves is predicted for air lubricated bearings. Steady-state performance is discussed in terms of bearing load capacity, while the dynamic performance is discussed in terms of fluid film stability and dynamic coefficients. It was found that the bearing wave amplitude has an important influence on both the steady-state and the dynamic performance of the waved journal bearing. For a fixed eccentricity ratio, the bearing steady-state load capacity and direct dynamic stiffness coefficient increase as the wave amplitude increases.

[Specific features in realization of the principle of minimum energy dissipation during individual development].

PubMed

Zotin, A A

2012-01-01

Realization of the principle of minimum energy dissipation (Prigogine's theorem) during individual development has been analyzed. This analysis has suggested the following reformulation of this principle for living objects: when environmental conditions are constant, the living system evolves to a current steady state in such a way that the difference between entropy production and entropy flow (psi(u) function) is positive and constantly decreases near the steady state, approaching zero. In turn, the current steady state tends to a final steady state in such a way that the difference between the specific entropy productions in an organism and its environment tends to be minimal. In general, individual development completely agrees with the law of entropy increase (second law of thermodynamics).

Fabrication and Characterization of Ultrathin-ring Electrodes for Pseudo-steady-state Amperometric Detection.

PubMed

Kitazumi, Yuki; Hamamoto, Katsumi; Noda, Tatsuo; Shirai, Osamu; Kano, Kenji

2015-01-01

The fabrication of ultrathin-ring electrodes with a diameter of 2 mm and a thickness of 100 nm is established. The ultrathin-ring electrodes provide a large density of pseudo-steady-state currents, and realize pseudo-steady-state amperometry under quiescent conditions without a Faraday cage. Under the limiting current conditions, the current response at the ultrathin-ring electrode can be well explained by the theory of the microband electrode response. Cyclic voltammograms at the ultrathin-ring electrode show sigmoidal characteristics with some hysteresis. Numerical simulation reveals that the hysteresis can be ascribed to the time-dependence of pseudo-steady-state current. The performance of amperometry with the ultrathin-ring electrode has been verified in its application to redox enzyme kinetic measurements.

Dissipative production of a maximally entangled steady state of two quantum bits.

PubMed

Lin, Y; Gaebler, J P; Reiter, F; Tan, T R; Bowler, R; Sørensen, A S; Leibfried, D; Wineland, D J

2013-12-19

Entangled states are a key resource in fundamental quantum physics, quantum cryptography and quantum computation. Introduction of controlled unitary processes--quantum gates--to a quantum system has so far been the most widely used method to create entanglement deterministically. These processes require high-fidelity state preparation and minimization of the decoherence that inevitably arises from coupling between the system and the environment, and imperfect control of the system parameters. Here we combine unitary processes with engineered dissipation to deterministically produce and stabilize an approximate Bell state of two trapped-ion quantum bits (qubits), independent of their initial states. Compared with previous studies that involved dissipative entanglement of atomic ensembles or the application of sequences of multiple time-dependent gates to trapped ions, we implement our combined process using trapped-ion qubits in a continuous time-independent fashion (analogous to optical pumping of atomic states). By continuously driving the system towards the steady state, entanglement is stabilized even in the presence of experimental noise and decoherence. Our demonstration of an entangled steady state of two qubits represents a step towards dissipative state engineering, dissipative quantum computation and dissipative phase transitions. Following this approach, engineered coupling to the environment may be applied to a broad range of experimental systems to achieve desired quantum dynamics or steady states. Indeed, concurrently with this work, an entangled steady state of two superconducting qubits was demonstrated using dissipation.

Azadioxatriangulenium: exploring the effect of a 20 ns fluorescence lifetime in fluorescence anisotropy measurements

NASA Astrophysics Data System (ADS)

Bogh, Sidsel A.; Bora, Ilkay; Rosenberg, Martin; Thyrhaug, Erling; Laursen, Bo W.; Just Sørensen, Thomas

2015-12-01

Azaoxatriangulenium (ADOTA) has been shown to be highly emissive despite a moderate molar absorption coefficient of the primary electronic transition. As a result, the fluorescence lifetime is ~20 ns, longer than all commonly used red fluorescent organic probes. The electronic transitions in ADOTA are highly polarised (r 0  =  0.38), which in combination with the long fluorescence lifetime extents the size-range of biomolecular weights that can be detected in fluorescence polarisation-based experiments. Here, the rotational dynamics of bovine serum albumin (BSA) are monitored with three different ADOTA derivatives, differing only in constitution of the reactive linker. A detailed study of the degree of labelling, the steady-state anisotropy, and the time-resolved anisotropy of the three different ADOTA-BSA conjugates are reported. The fluorescence quantum yields (ϕ fl) of the free dyes in PBS solution are determined to be ~55%, which is reduced to ~20% in the ADOTA-BSA conjugates. Despite the reduction in ϕ fl, a ~20 ns intensity averaged lifetime is maintained, allowing for the rotational dynamics of BSA to be monitored for up to 100 ns. Thus, ADOTA can be used in fluorescence polarisation assays to fill the gap between commonly used organic dyes and the long luminescence lifetime transition metal complexes. This allows for efficient steady-state fluorescence polarisation assays for detecting binding of analytes with molecular weights of up to 100 kDa.

The initial stages of ZnO atomic layer deposition on atomically flat In0.53Ga0.47As substrates.

PubMed

Skopin, Evgeniy V; Rapenne, Laetitia; Roussel, Hervé; Deschanvres, Jean-Luc; Blanquet, Elisabeth; Ciatto, Gianluca; Fong, Dillon D; Richard, Marie-Ingrid; Renevier, Hubert

2018-06-21

InGaAs is one of the III-V active semiconductors used in modern high-electron-mobility transistors or high-speed electronics. ZnO is a good candidate material to be inserted as a tunneling insulator layer at the metal-semiconductor junction. A key consideration in many modern devices is the atomic structure of the hetero-interface, which often ultimately governs the electronic or chemical process of interest. Here, a complementary suite of in situ synchrotron X-ray techniques (fluorescence, reflectivity and absorption) as well as modeling is used to investigate both structural and chemical evolution during the initial growth of ZnO by atomic layer deposition (ALD) on In0.53Ga0.47As substrates. Prior to steady-state growth behavior, we discover a transient regime characterized by two stages. First, substrate-inhibited ZnO growth takes place on InGaAs terraces. This leads eventually to the formation of a 1 nm-thick, two-dimensional (2D) amorphous layer. Second, the growth behavior and its modeling suggest the occurrence of dense island formation, with an aspect ratio and surface roughness that depends sensitively on the growth condition. Finally, ZnO ALD on In0.53Ga0.47As is characterized by 2D steady-state growth with a linear growth rate of 0.21 nm cy-1, as expected for layer-by-layer ZnO ALD.

Design of a high particle flux hydrogen helicon plasma source for used in plasma materials interaction studies

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

Goulding, R. H.; Chen, G.; Meitner, S.

2009-11-26

Existing linear plasma materials interaction (PMI) facilities all use plasma sources with internal electrodes. An rf-based helicon source is of interest because high plasma densities can be generated with no internal electrodes, allowing true steady state operation with minimal impurity generation. Work has begun at Oak Ridge National Laboratory (ORNL) to develop a large (15 cm) diameter helicon source producing hydrogen plasmas with parameters suitable for use in a linear PMI device: n{sub e}{>=}10{sup 19} m{sup -3}, T{sub e} = 4-10 eV, particle flux {gamma}{sub p}>10{sup 23}m{sup -3} s{sup -1}, and magnetic field strength |B| up to 1 T inmore » the source region. The device, whose design is based on a previous hydrogen helicon source operated at ORNL[1], will operate at rf frequencies in the range 10-26 MHz, and power levels up to {approx}100 kW. Limitations in cooling will prevent operation for pulses longer than several seconds, but a major goal will be the measurement of power deposition on device structures so that a later steady state version can be designed. The device design, the diagnostics to be used, and results of rf modeling of the device will be discussed. These include calculations of plasma loading, resulting currents and voltages in antenna structures and the matching network, power deposition profiles, and the effect of high |B| operation on power absorption.« less

The effects of sulfur mustard exposure and freezing on transdermal penetration of tritiated water through ex vivo pig skin.

PubMed

Payne, O J; Graham, S J; Dalton, C H; Spencer, P M; Mansson, R; Jenner, J; Azeke, J; Braue, E

2013-02-01

The percutaneous absorption of tritiated water ((3)H(2)O) through sulfur mustard (SM) exposed abdominal pig skin was measured using in vitro Franz-type static diffusion cells. The barrier function to water permeation following exposure to liquid SM for 8 min and excision 3h later did not change significantly. A small, but statistically significant difference (P<0.05) in steady state penetration (Jss), permeability coefficient (Kp) and lag time (t(L)) of (3)H(2)O was observed between fresh skin and skin stored frozen (-20 °C) for up to two weeks. Steady-state penetration and Kp values were significantly higher (P < 0.05) in skin stored frozen compared with fresh skin. Fresh naïve skin had an average Kp of 1.65 × 10(-3) cm h(-1), whereas frozen naïve skin was 2.04 × 10(-3) cm h(-1). Fresh SM exposed skin had a mean Kp of 1.72 × 10(-3) cm h(-1), whereas frozen SM exposed skin was 2.31 × 10(-3) cm h(-1). Lag times were also shorter (P<0.05) in skin that had been stored frozen. Frozen, SM-exposed porcine abdominal skin may be used for in vitro penetration studies, but effects of treatment and storage on the barrier layer should be taken into account. Copyright © 2012 Elsevier Ltd. All rights reserved.

Mechanical energy profiles of the combined ankle-foot system in normal gait: insights for prosthetic designs.

PubMed

Takahashi, Kota Z; Stanhope, Steven J

2013-09-01

Over the last half-century, the field of prosthetic engineering has continuously evolved with much attention being dedicated to restoring the mechanical energy properties of ankle joint musculatures during gait. However, the contributions of 'distal foot structures' (e.g., foot muscles, plantar soft tissue) have been overlooked. Therefore, the purpose of this study was to quantify the total mechanical energy profiles (e.g., power, work, and work-ratio) of the natural ankle-foot system (NAFS) by combining the contributions of the ankle joint and all distal foot structures during stance in level-ground steady state walking across various speeds (0.4, 0.6, 0.8 and 1.0 statures/s). The results from eleven healthy subjects walking barefoot indicated ankle joint and distal foot structures generally performed opposing roles: the ankle joint performed net positive work that systematically increased its energy generation with faster walking speeds, while the distal foot performed net negative work that systematically increased its energy absorption with faster walking speeds. Accounting for these simultaneous effects, the combined ankle-foot system exhibited increased work-ratios with faster walking. Most notably, the work-ratio was not significantly greater than 1.0 during the normal walking speed of 0.8 statures/s. Therefore, a prosthetic design that strategically exploits passive-dynamic properties (e.g., elastic energy storage and return) has the potential to replicate the mechanical energy profiles of the NAFS during level-ground steady-state walking. Copyright © 2013 Elsevier B.V. All rights reserved.

Poiseuille flow of soft glasses in narrow channels: from quiescence to steady state.

PubMed

Chaudhuri, Pinaki; Horbach, Jürgen

2014-10-01

Using numerical simulations, the onset of Poiseuille flow in a confined soft glass is investigated. Starting from the quiescent state, steady flow sets in at a time scale which increases with a decrease in applied forcing. At this onset time scale, a rapid transition occurs via the simultaneous fluidization of regions having different local stresses. In the absence of steady flow at long times, creep is observed even in regions where the local stress is larger than the bulk yielding threshold. Finally, we show that the time scale to attain steady flow depends strongly on the history of the initial state.

Bipolar pulse field for magnetic refrigeration

DOEpatents

Lubell, M.S.

1994-10-25

A magnetic refrigeration apparatus includes first and second steady state magnets, each having a field of substantially equal strength and opposite polarity, first and second bodies made of magnetocaloric material disposed respectively in the influence of the fields of the first and second steady state magnets, and a pulsed magnet, concentric with the first and second steady state magnets, and having a field which cycles between the fields of the first and second steady state magnets, thereby cyclically magnetizing and demagnetizing and thus heating and cooling the first and second bodies. Heat exchange apparatus of suitable design can be used to expose a working fluid to the first and second bodies of magnetocaloric material. A controller is provided to synchronize the flow of working fluid with the changing states of magnetization of the first and second bodies. 2 figs.

Steady-state kinetic modeling constrains cellular resting states and dynamic behavior.

PubMed

Purvis, Jeremy E; Radhakrishnan, Ravi; Diamond, Scott L

2009-03-01

A defining characteristic of living cells is the ability to respond dynamically to external stimuli while maintaining homeostasis under resting conditions. Capturing both of these features in a single kinetic model is difficult because the model must be able to reproduce both behaviors using the same set of molecular components. Here, we show how combining small, well-defined steady-state networks provides an efficient means of constructing large-scale kinetic models that exhibit realistic resting and dynamic behaviors. By requiring each kinetic module to be homeostatic (at steady state under resting conditions), the method proceeds by (i) computing steady-state solutions to a system of ordinary differential equations for each module, (ii) applying principal component analysis to each set of solutions to capture the steady-state solution space of each module network, and (iii) combining optimal search directions from all modules to form a global steady-state space that is searched for accurate simulation of the time-dependent behavior of the whole system upon perturbation. Importantly, this stepwise approach retains the nonlinear rate expressions that govern each reaction in the system and enforces constraints on the range of allowable concentration states for the full-scale model. These constraints not only reduce the computational cost of fitting experimental time-series data but can also provide insight into limitations on system concentrations and architecture. To demonstrate application of the method, we show how small kinetic perturbations in a modular model of platelet P2Y(1) signaling can cause widespread compensatory effects on cellular resting states.

A descriptive model of resting-state networks using Markov chains.

PubMed

Xie, H; Pal, R; Mitra, S

2016-08-01

Resting-state functional connectivity (RSFC) studies considering pairwise linear correlations have attracted great interests while the underlying functional network structure still remains poorly understood. To further our understanding of RSFC, this paper presents an analysis of the resting-state networks (RSNs) based on the steady-state distributions and provides a novel angle to investigate the RSFC of multiple functional nodes. This paper evaluates the consistency of two networks based on the Hellinger distance between the steady-state distributions of the inferred Markov chain models. The results show that generated steady-state distributions of default mode network have higher consistency across subjects than random nodes from various RSNs.

Results of the ETV-1 breadboard tests under steady-state and transient conditions. [conducted in the NASA-LeRC Road Load Simulator

NASA Technical Reports Server (NTRS)

Sargent, N. B.; Dustin, M. O.

1981-01-01

Steady state tests were run to characterize the system and component efficiencies over the complete speed-torque capabilities of the propulsion system in both motoring and regenerative modes of operation. The steady state data were obtained using a battery simulator to separate the effects on efficiency caused by changing battery state-of-charge and component temperature. Transient tests were performed to determine the energy profiles of the propulsion system operating over the SAE J227a driving schedules.

Photophysics of a coumarin based Schiff base in solvents of varying polarities

NASA Astrophysics Data System (ADS)

Ghosh, Saptarshi; Roy, Nayan; Singh, T. Sanjoy; Chattopadhyay, Nitin

2018-01-01

The present work reports detailed photophysics of a coumarin based Schiff base, namely, (E)-7-(((8-hydroxyquinolin-2-yl)methylene)amino)-4-methyl-2H-chromen-2-one (HMC) in different solvents of varying polarity exploiting steady state absorption, fluorescence and time resolved fluorescence spectroscopy. The dominant photophysical features of HMC are discussed in terms of emission from an intramolecular charge transfer (ICT) excited state. Molecular orbital (MO) diagrams as obtained from DFT based computational analysis confirms the occurrence of charge transfer from 8‧-hydroxy quinoline moiety of the molecule to the coumarin part. The notable difference in the photophysical response of HMC from its analogous coumarin (C480) lies in a lower magnitude of fluorescence quantum yield of the former, particularly in the solvents of low polarity, which is rationalized by considering the higher rate of non-radiative decay of HMC in apolar solvents. Phosphorescence emission as well as phosphorescence lifetime of HMC has also been reported in 77 K frozen matrix.

Encapsulation of labetalol, pseudoephedrine in β-cyclodextrin cavity: spectral and molecular modeling studies.

PubMed

Prabhu, A Antony Muthu; Rajendiran, N

2012-11-01

The absorption and fluorescence spectra of labetalol and pseudoephedrine have been studied in different polarities of solvents and β-cyclodextrin (β-CD). The inclusion complexation with β-CD is investigated by UV-visible, steady state and time resolved fluorescence spectra and PM3 method. In protic solvents, the normal emission originates from a locally excited state and the longer wavelength emission is due to intramolecular charge transfer (TICT). Labetalol forms a 1:2 complex and pseudoephedrine forms 1:1 complex with β-CD. Nanosecond time-resolved studies indicated that both molecules show triexponential decay. Thermodynamic parameters (ΔG, ΔH, ΔS) and HOMO, LUMO orbital investigations confirm the stability of the inclusion complex. The geometry of the most stable complex shows that the aromatic ring is deeply self included inside the β-CD cavity and intermolecular hydrogen bonds were established between host and guest molecules. This suggests that hydrophobic effect and hydrogen bond play an important role in the inclusion process.

The effects of linear assembly of two carbazole groups on acid-base and DNA-binding properties of a ruthenium(II) complex.

PubMed

Chen, Xi; Xue, Long-Xin; Ju, Chun-Chuan; Wang, Ke-Zhi

2013-07-01

A novel Ru(II) complex of [Ru(bpy)2(Hbcpip)](ClO4)2 {where bpy=2,2-bipyridine, Hbcpip=2-(4-(9H-3,9'-bicarbazol-9-yl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline} is synthesized and characterized. Calf-thymus DNA-binding properties of the complex were studied by UV-vis absorption and luminescence titrations, steady-state emission quenching by [Fe(CN)6](4-), DNA competitive binding with ethidium bromide, thermal denaturation and DNA viscosity measurements. The results indicate that the complex partially intercalated into the DNA with a binding constant of (5.5±1.4)×10(5) M(-1) in buffered 50 mM NaCl. The acid-base properties of the complex were also studied by UV-visible and luminescence spectrophotometric pH titrations, and ground- and excited-state acidity ionization constant values were derived. Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental investigation of cryogenic oscillating heat pipes.

PubMed

Jiao, A J; Ma, H B; Critser, J K

2009-07-01

A novel cryogenic heat pipe, oscillating heat pipe (OHP), which consists of an 4 × 18.5 cm evaporator, a 6 × 18.5 cm condenser, and 10 cm length of adiabatic section, has been developed and experimental characterization conducted. Experimental results show that the maximum heat transport capability of the OHP reached 380W with average temperature difference of 49 °C between the evaporator and condenser when the cryogenic OHP was charged with liquid nitrogen at 48% (v/v) and operated in a horizontal direction. The thermal resistance decreased from 0.256 to 0.112 while the heat load increased from 22.5 to 321.8 W. When the OHP was operated at a steady state and an incremental heat load was added to it, the OHP operation changed from a steady state to an unsteady state until a new steady state was reached. This process can be divided into three regions: (I) unsteady state; (II) transient state; and (III) new steady state. In the steady state, the amplitude of temperature change in the evaporator is smaller than that of the condenser while the temperature response keeps the same frequency both in the evaporator and the condenser. The experimental results also showed that the amplitude of temperature difference between the evaporator and the condenser decreased when the heat load increased.

Experimental investigation of cryogenic oscillating heat pipes

PubMed Central

Jiao, A.J.; Ma, H.B.; Critser, J.K.

2010-01-01

A novel cryogenic heat pipe, oscillating heat pipe (OHP), which consists of an 4 × 18.5 cm evaporator, a 6 × 18.5 cm condenser, and 10 cm length of adiabatic section, has been developed and experimental characterization conducted. Experimental results show that the maximum heat transport capability of the OHP reached 380W with average temperature difference of 49 °C between the evaporator and condenser when the cryogenic OHP was charged with liquid nitrogen at 48% (v/v) and operated in a horizontal direction. The thermal resistance decreased from 0.256 to 0.112 while the heat load increased from 22.5 to 321.8 W. When the OHP was operated at a steady state and an incremental heat load was added to it, the OHP operation changed from a steady state to an unsteady state until a new steady state was reached. This process can be divided into three regions: (I) unsteady state; (II) transient state; and (III) new steady state. In the steady state, the amplitude of temperature change in the evaporator is smaller than that of the condenser while the temperature response keeps the same frequency both in the evaporator and the condenser. The experimental results also showed that the amplitude of temperature difference between the evaporator and the condenser decreased when the heat load increased. PMID:20585410

Slow and deep respiration suppresses steady-state sympathetic nerve activity in patients with chronic heart failure: from modeling to clinical application.

PubMed

Harada, Daisuke; Asanoi, Hidetsugu; Takagawa, Junya; Ishise, Hisanari; Ueno, Hiroshi; Oda, Yoshitaka; Goso, Yukiko; Joho, Shuji; Inoue, Hiroshi

2014-10-15

Influences of slow and deep respiration on steady-state sympathetic nerve activity remain controversial in humans and could vary depending on disease conditions and basal sympathetic nerve activity. To elucidate the respiratory modulation of steady-state sympathetic nerve activity, we modeled the dynamic nature of the relationship between lung inflation and muscle sympathetic nerve activity (MSNA) in 11 heart failure patients with exaggerated sympathetic outflow at rest. An autoregressive exogenous input model was utilized to simulate entire responses of MSNA to variable respiratory patterns. In another 18 patients, we determined the influence of increasing tidal volume and slowing respiratory frequency on MSNA; 10 patients underwent a 15-min device-guided slow respiration and the remaining 8 had no respiratory modification. The model predicted that a 1-liter, step increase of lung volume decreased MSNA dynamically; its nadir (-33 ± 22%) occurred at 2.4 s; and steady-state decrease (-15 ± 5%), at 6 s. Actually, in patients with the device-guided slow and deep respiration, respiratory frequency effectively fell from 16.4 ± 3.9 to 6.7 ± 2.8/min (P < 0.0001) with a concomitant increase in tidal volume from 499 ± 206 to 1,177 ± 497 ml (P < 0.001). Consequently, steady-state MSNA was decreased by 31% (P < 0.005). In patients without respiratory modulation, there were no significant changes in respiratory frequency, tidal volume, and steady-state MSNA. Thus slow and deep respiration suppresses steady-state sympathetic nerve activity in patients with high levels of resting sympathetic tone as in heart failure. Copyright © 2014 the American Physiological Society.

Spatial variability of steady-state infiltration into a two-layer soil system on burned hillslopes

USGS Publications Warehouse

Kinner, D.A.; Moody, J.A.

2010-01-01

Rainfall-runoff simulations were conducted to estimate the characteristics of the steady-state infiltration rate into 1-m2 north- and south-facing hillslope plots burned by a wildfire in October 2003. Soil profiles in the plots consisted of a two-layer system composed of an ash on top of sandy mineral soil. Multiple rainfall rates (18.4-51.2 mm h-1) were used during 14 short-duration (30 min) and 2 long-duration simulations (2-4 h). Steady state was reached in 7-26 min. Observed spatially-averaged steady-state infiltration rates ranged from 18.2 to 23.8 mm h-1 for north-facing and from 17.9 to 36.0 mm h-1 for south-facing plots. Three different theoretical spatial distribution models of steady-state infiltration rate were fit to the measurements of rainfall rate and steady-state discharge to provided estimates of the spatial average (19.2-22.2 mm h-1) and the coefficient of variation (0.11-0.40) of infiltration rates, overland flow contributing area (74-90% of the plot area), and infiltration threshold (19.0-26 mm h-1). Tensiometer measurements indicated a downward moving pressure wave and suggest that infiltration-excess overland flow is the runoff process on these burned hillslope with a two-layer system. Moreover, the results indicate that the ash layer is wettable, may restrict water flow into the underlying layer, and increase the infiltration threshold; whereas, the underlying mineral soil, though coarser, limits the infiltration rate. These results of the spatial variability of steady-state infiltration can be used to develop physically-based rainfall-runoff models for burned areas with a two-layer soil system. ?? 2010 Elsevier B.V.

Steady states of a diode with counterstreaming electron and positron beams

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

Ender, A. Ya.; Kuznetsov, V. I., E-mail: victor.kuznetsov@mail.ioffe.ru; Gruzdev, A. A.

2016-10-15

Steady states of a plasma layer with counterstreaming beams of oppositely charged particles moving without collisions in a self-consistent electric field are analyzed. The study is aimed at clarifying the mechanism of generation and reconstruction of pulsar radiation. Such a layer also models the processes occurring in Knudsen plasma diodes with counterstreaming electron and ion beams. The steady-state solutions are exhaustively classified. The existence of several solutions at the same external parameters is established.

Steady states of a diode with counterstreaming electron and positron beams

NASA Astrophysics Data System (ADS)

Ender, A. Ya.; Kuznetsov, V. I.; Gruzdev, A. A.

2016-10-01

Steady states of a plasma layer with counterstreaming beams of oppositely charged particles moving without collisions in a self-consistent electric field are analyzed. The study is aimed at clarifying the mechanism of generation and reconstruction of pulsar radiation. Such a layer also models the processes occurring in Knudsen plasma diodes with counterstreaming electron and ion beams. The steady-state solutions are exhaustively classified. The existence of several solutions at the same external parameters is established.

Transient and steady-state performance of a single turbojet combustor with four different fuel nozzles

NASA Technical Reports Server (NTRS)

Mccafferty, Richard J; Donlon, Richard H

1955-01-01

Acceleration and steady-state performance of a tubular combustor was evaluated at two simulated altitudes with four different fuel nozzles. Temperature response lag was observed with all the nozzles. Except for rich-limit blowout, the only combustion failures observed during acceleration were with a fuel nozzle that gave an interrupted flow delivery during the acceleration. This same nozzle, because of superior fuel atomization, gave the highest steady-state combustion efficiencies.

Lactate and Acrylate Metabolism by Megasphaera elsdenii under Batch and Steady-State Conditions

PubMed Central

Prabhu, Rupal; Altman, Elliot

2012-01-01

The growth of Megasphaera elsdenii on lactate with acrylate and acrylate analogues was studied under batch and steady-state conditions. Under batch conditions, lactate was converted to acetate and propionate, and acrylate was converted into propionate. Acrylate analogues 2-methyl propenoate and 3-butenoate containing a terminal double bond were similarly converted into their respective saturated acids (isobutyrate and butyrate), while crotonate and lactate analogues 3-hydroxybutyrate and (R)-2-hydroxybutyrate were not metabolized. Under carbon-limited steady-state conditions, lactate was converted to acetate and butyrate with no propionate formed. As the acrylate concentration in the feed was increased, butyrate and hydrogen formation decreased and propionate was increasingly generated, while the calculated ATP yield was unchanged. M. elsdenii metabolism differs substantially under batch and steady-state conditions. The results support the conclusion that propionate is not formed during lactate-limited steady-state growth because of the absence of this substrate to drive the formation of lactyl coenzyme A (CoA) via propionyl-CoA transferase. Acrylate and acrylate analogues are reduced under both batch and steady-state growth conditions after first being converted to thioesters via propionyl-CoA transferase. Our findings demonstrate the central role that CoA transferase activity plays in the utilization of acids by M. elsdenii and allows us to propose a modified acrylate pathway for M. elsdenii. PMID:23023753

A critical investigation of post-liquefaction strength and steady-state flow behavior of saturated soils

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

Jong, H.L.

1988-01-01

The first objective was to perform a critical evaluation of the recently proposed steady-state analysis methodology for evaluation of post-liquefaction stability of potentially liquefiable soils. This analysis procedure is based on direct comparison between the in-situ undrained residual (steady state) strength of soils in an embankment or foundation, and the driving shear stresses in these soils. A laboratory investigation was performed to investigate factors affecting steady-state strengths, and also to evaluate the validity of assumptions involved in correcting the results of laboratory steady-state strength tests on undisturbed samples for effects of sampling disturbance in order to estimate in-situ strengths. Next,more » a field case study was performed using the steady-state analysis and testing methodologies to analyze Lower San Fernando Dam, which suffered a liquefaction-induced slope failure as a results of a 1971 earthquake. This leads to the second objective which was to extend the Lower San Fernando Dam case study to consideration of analysis methods used to evaluate the likelihood of triggering liquefaction during an earthquake. Finally, a number of the high quality undisturbed samples were subjected to undrained cyclic testing in order to repeat an earlier (1973) study of the use of cyclic tests data to predict liquefaction behavior at Lower San Fernando Dam.« less

Multiple Steady States of Buoyancy Induced Flow in Cold Water and Their Stability.

NASA Astrophysics Data System (ADS)

El-Henawy, Ibrahim Mahmoud

In Chapters 1 and 2 the physical background and the literature related to buoyancy-induced flows are reviewed. An accurate representation, based upon experimental data, of the motion-causing buoyancy force, in the vicinity of maximum density in pure water at low temperatures, is used. This representation is an accurate and quite simple formulation due to Gebhart and Mollendorf (1977). Using the representation, we study, numerically, Chapter 3, a model for the laminar, boundary-layer flow arising from natural convection adjacent to a vertical isothermal flat surface submerged in quiescent cold water. The results demonstrate for the first time the existence of multiple steady-state solutions in a natural convection flow. The existence of these new multiple steady-state solutions led to an investigation of their stability. This is carried out in Chapter 4 by a mathematical method, different from that of the usual hydrodynamic stability approach, Lin (1955) and Razinand and Reid (1982). Three real eigenvalue and eigenvector pairs corresponding to the new steady-state -solutions were found. Each of these eigenvalues changes its algebraic sign at a particular limit point (point of vertical tangency, nose, knee) in the bifurcation diagrams found in Chapter 3. The results indicate that the new steady-state solutions are unstable and that the previously found steady-state solutions, Carey, Gebhart, and Mollendorf (1980), may be stable.

Prospective evaluation of haemoglobin oxygen saturation at rest and after exercise in paediatric sickle cell disease patients

PubMed Central

Campbell, Andrew; Minniti, Caterina P.; Nouraie, Mehdi; Arteta, Manuel; Rana, Sohail; Onyekwere, Onyinye; Sable, Craig; Ensing, Gregory; Dham, Niti; Luchtman-Jones, Lori; Kato, Gregory J.; Gladwin, Mark T.; Castro, Oswaldo L.; Gordeuk, Victor R.

2009-01-01

Summary Low steady state haemoglobin oxygen saturation in patients with sickle cell anaemia has been associated with the degree of anaemia and haemolysis. How much pulmonary dysfunction contributes to low saturation is not clear. In a prospective study of children and adolescents with sickle cell disease aged 3–20 years at steady state and matched controls, 52% of 391 patients versus 24% of 63 controls had steady state oxygen saturation <99% (P < 0·0001), 9% of patients versus no controls had saturation <95% (P = 0·008) and 8% of patients versus no controls had exercise-induced reduction in saturation ≥3%. Decreasing haemoglobin concentration (P ≤ 0·001) and increasing haemolysis (P ≤ 0·003) but not pulmonary function tests were independent predictors of both lower steady-state saturation and exercise-induced reduction in saturation. Neither history of stroke nor history of acute chest syndrome was significantly associated with lower steady-state oxygen saturation or exercise-induced reduction in saturation. Tricuspid regurgitation velocity was higher in patients with lower steady state haemoglobin oxygen saturation (P = 0·003) and with greater decline in oxygen saturation during the six-minute walk (P = 0·022). In conclusion, lower haemoglobin oxygen saturation is independently associated with increasing degrees of anaemia and haemolysis but not pulmonary function abnormalities among children and adolescents with sickle cell disease. PMID:19694721

Nitrogen Can Alleviate the Inhibition of Photosynthesis Caused by High Temperature Stress under Both Steady-State and Flecked Irradiance.

PubMed

Huang, Guanjun; Zhang, Qiangqiang; Wei, Xinghai; Peng, Shaobing; Li, Yong

2017-01-01

Nitrogen is one of the most important elements for plants and is closely related to photosynthesis. High temperature stress significantly inhibits photosynthesis under both steady-state and flecked irradiance. However, it is not known whether nitrogen can affect the decrease in photosynthesis caused by high temperature, especially under flecked irradiance. In the present study, a pot experiment was conducted under two nitrogen (N) supplies with rice plants, and the steady-state and dynamic photosynthesis rates were measured under 28 and 40°C. High temperature significantly increased leaf hydraulic conductance ( K leaf ) under high N supply (HN) but not under low N supply (LN). The increased K leaf maintained a constant leaf water potential (Ψ leaf ) and steady-state stomatal conductance ( g s,sat ) under HN, while the Ψ leaf and g s,sat significantly decreased under high temperature in LN conditions. This resulted in a more severe decrease in steady-state photosynthesis ( A sat ) under high temperature in the LN conditions. After shifting from low to high light, high temperature significantly delayed the recovery of photosynthesis, which resulted in more carbon loss under flecked irradiance. These effects were obtained under HN to a lesser extent than under LN supply. Therefore, it is concluded that nitrogen can alleviate the inhibition of photosynthesis caused by high temperature stress under both steady-state and flecked irradiance.

Quasi-steady-state voltammetry of rapid electron transfer reactions at the macroscopic substrate of the scanning electrochemical microscope.

PubMed

Nioradze, Nikoloz; Kim, Jiyeon; Amemiya, Shigeru

2011-02-01

We report on a novel theory and experiment for scanning electrochemical microscopy (SECM) to enable quasi-steady-state voltammetry of rapid electron transfer (ET) reactions at macroscopic substrates. With this powerful approach, the substrate potential is cycled widely across the formal potential of a redox couple while the reactant or product of a substrate reaction is amperometrically detected at the tip in the feedback or substrate generation/tip collection mode, respectively. The plot of tip current versus substrate potential features the retraceable sigmoidal shape of a quasi-steady-state voltammogram although a transient voltammogram is obtained at the macroscopic substrate. Finite element simulations reveal that a short tip-substrate distance and a reversible substrate reaction (except under the tip) are required for quasi-steady-state voltammetry. Advantageously, a pair of quasi-steady-state voltammograms is obtained by employing both operation modes to reliably determine all transport, thermodynamic, and kinetic parameters as confirmed experimentally for rapid ET reactions of ferrocenemethanol and 7,7,8,8-tetracyanoquinodimethane at a Pt substrate with ∼0.5 μm-radius Pt tips positioned at 90 nm-1 μm distances. Standard ET rate constants of ∼7 cm/s were obtained for the latter mediator as the largest determined for a substrate reaction by SECM. Various potential applications of quasi-steady-state voltammetry are also proposed.

Role of irregular otolith afferents in the steady-state nystagmus during off-vertical axis rotation

NASA Technical Reports Server (NTRS)

Angelaki, D. E.; Perachio, A. A.; Mustari, M. J.; Strunk, C. L.

1992-01-01

1. During constant velocity off-vertical axis rotations (OVAR) in the dark a compensatory ocular nystagmus is present throughout rotation despite the lack of a maintained signal from the semicircular canals. Lesion experiments and canal plugging have attributed the steady-state ocular nystagmus during OVAR to inputs from the otolith organs and have demonstrated that it depends on an intact velocity storage mechanism. 2. To test whether irregularly discharging otolith afferents play a crucial role in the generation of the steady-state eye nystagmus during OVAR, we have used anodal (inhibitory) currents bilaterally to selectively and reversibly block irregular vestibular afferent discharge. During delivery of DC anodal currents (100 microA) bilaterally to both ears, the slow phase eye velocity of the steady-state nystagmus during OVAR was reduced or completely abolished. The disruption of the steady-state nystagmus was transient and lasted only during the period of galvanic stimulation. 3. To distinguish a possible effect of ablation of the background discharge rates of irregular vestibular afferents on the velocity storage mechanism from specific contributions of the dynamic responses from irregular otolith afferents to the circuit responsible for the generation of the steady-state nystagmus, bilateral DC anodal galvanic stimulation was applied during optokinetic nystagmus (OKN) and optokinetic afternystagmus (OKAN). No change in OKN and OKAN was observed.(ABSTRACT TRUNCATED AT 250 WORDS).

Smooth Approximation l 0-Norm Constrained Affine Projection Algorithm and Its Applications in Sparse Channel Estimation

PubMed Central

2014-01-01

We propose a smooth approximation l 0-norm constrained affine projection algorithm (SL0-APA) to improve the convergence speed and the steady-state error of affine projection algorithm (APA) for sparse channel estimation. The proposed algorithm ensures improved performance in terms of the convergence speed and the steady-state error via the combination of a smooth approximation l 0-norm (SL0) penalty on the coefficients into the standard APA cost function, which gives rise to a zero attractor that promotes the sparsity of the channel taps in the channel estimation and hence accelerates the convergence speed and reduces the steady-state error when the channel is sparse. The simulation results demonstrate that our proposed SL0-APA is superior to the standard APA and its sparsity-aware algorithms in terms of both the convergence speed and the steady-state behavior in a designated sparse channel. Furthermore, SL0-APA is shown to have smaller steady-state error than the previously proposed sparsity-aware algorithms when the number of nonzero taps in the sparse channel increases. PMID:24790588

[Study on balance group in steady-state extraction process of Chinese medicine and experimental verification to Houttuynia cordata].

PubMed

Liu, Wenlong; Zhang, Xili; He, Fuyuan; Zhang, Ping; Wang, Haiqin; Wu, Dezhi; Chen, Zuohong

2011-11-01

To establish and experimental verification the mathematical model of the balance groups that is the steady-state of traditional Chinese medicine in extraction. Using the entropy and genetic principles of statistics, and taking the coefficient of variation of GC fingerprint which is the naphtha of the Houttuynia cordata between strains in the same GAP place as a pivot to establish and verify the mathematical model was established of the balance groups that is the steady-state of traditional Chinese medicine in extraction. A mathematical model that is suitable for the balance groups of the steady-state of traditional Chinese medicine and preparation in extraction, and the balance groups which is 29 683 strains (approximately 118.7 kg) were gained with the same origin of H. cordata as the model drug. Under the GAP of quality control model, controlling the stability of the quality through further using the Hardy-Weinberg balance groups of the H. cordata between strains, the new theory and experiment foundation is established for the steady-state of traditional Chinese medicine in extraction and quality control.

Spectroscopic study of excitations in pi-conjugated polymers

NASA Astrophysics Data System (ADS)

Yang, Cungeng

This dissertation deals with spin-physics of photo excitations in pi-conjugated polymers. Optical and magneto-optical spectroscopies, including continuous wave and time-resolved photo-induced absorption, photoluminescence, electroluminescence, and their optically detected magnetic resonance, were used to study steady state and transient photogeneration, energy transfer, spin relaxation, and spin dependent recombination process in the time domain from tens of nanoseconds to tens of milliseconds in polymer materials including regio-random poly (3-hexyl-thiophene-2,5-diyl), regio-regular poly (3-hexyl-thiophene-2,5-diyl), poly (9,9-dioctyl-fluorenyl-2,7-diyl), poly (poly (2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylene vinylene) of various morphologies, and transition metal complex poly (Pt-quinoxene). Our studies provided the tools to clarify the physical pictures regarding two types of long-lived photoexcitations, namely polarons (both germinate polaron-pairs, and unpaired polarons) and triplet excitons, which are the major excitations in these exotic semiconductors in electrical and optical related applications. From measurements of transient fluorescence and transient fluorescence detected magnetic resonance we show that photogenerated geminate polaron pairs live up to hundreds of microseconds following laser pulsed excitation. This conclusion is in agreement with the delayed formation of triplet excitons that we measured by transient photoinduced absorption. It also agrees with the weak spin-lattice relaxation rate in polymers that we measured using the optically detected magnetic resonance dynamic in thin films and organic light emitting devices. Randomly captured nongeminate polaron pairs were shown to be the major source of optically detected magnetic resonance signal at steady, state. We found that the dynamics and magnitude of the signal depend on the spin-relaxation rate, generation rate and decay rate of the geminate pairs and nongeminate pairs. Importantly we found that the spin-relaxation rate depends weakly on temperature and strongly on coupled heavy atom orbital and magnetic momentum dipole induced by dopants or high intensity excitation. Also the polaron generation rate is excitation energy and nano-morphology dependent; whereas the polaron decay rate is morphology and spin dependent.

Advanced continuous cultivation methods for systems microbiology.

PubMed

Adamberg, Kaarel; Valgepea, Kaspar; Vilu, Raivo

2015-09-01

Increasing the throughput of systems biology-based experimental characterization of in silico-designed strains has great potential for accelerating the development of cell factories. For this, analysis of metabolism in the steady state is essential as only this enables the unequivocal definition of the physiological state of cells, which is needed for the complete description and in silico reconstruction of their phenotypes. In this review, we show that for a systems microbiology approach, high-resolution characterization of metabolism in the steady state--growth space analysis (GSA)--can be achieved by using advanced continuous cultivation methods termed changestats. In changestats, an environmental parameter is continuously changed at a constant rate within one experiment whilst maintaining cells in the physiological steady state similar to chemostats. This increases the resolution and throughput of GSA compared with chemostats, and, moreover, enables following of the dynamics of metabolism and detection of metabolic switch-points and optimal growth conditions. We also describe the concept, challenge and necessary criteria of the systematic analysis of steady-state metabolism. Finally, we propose that such systematic characterization of the steady-state growth space of cells using changestats has value not only for fundamental studies of metabolism, but also for systems biology-based metabolic engineering of cell factories.

Effect of antacids on predicted steady-state cimetidine concentrations.

PubMed

Russell, W L; Lopez, L M; Normann, S A; Doering, P L; Guild, R T

1984-05-01

The purpose of this study was to evaluate effects of antacids on predicted steady-state concentrations of cimetidine. Ten healthy volunteers received in random order one week apart, cimetidine and cimetidine and antacid suspension. Blood was obtained at specified times and analyzed for cimetidine. Bioavailability was assessed by comparison of peak concentration, time to peak concentration, area under the curve, and time spent over 0.5 micrograms/ml. Single-dose data were extrapolated to steady-state using computer simulation. Concurrent administration of antacid suspension reduced parameters of bioavailability approximately 30%. When steady-state conditions were simulated, concentrations of cimetidine greater than or equal to 0.5 micrograms/ml were maintained for the entire dosing interval in seven of 10 subjects. These data suggest that temporal separation of cimetidine and antacid suspension may be unnecessary.

Interplay of interaction and disorder in the steady state of an open quantum system

NASA Astrophysics Data System (ADS)

Xu, Xiansong; Guo, Chu; Poletti, Dario

2018-04-01

Many types of dissipative processes can be found in nature or be engineered, and their interplay with a system can give rise to interesting phases of matter. Here we study the interplay among interaction, tunneling, and disorder in the steady state of a spin chain coupled to a tailored bath. We consider a dissipation which, in contrast to disorder, tends to generate a homogeneously polarized steady state. We find that the steady state can be highly sensitive even to weak disorder. We also establish that, in the presence of such dissipation, even in the absence of interaction, a finite amount of disorder is needed for localization. Last, we show that for strong disorder the system reveals signatures of localization both in the weakly and strong interacting regimes.

Excitation energy transfer between Light-harvesting complex II and Photosystem I in reconstituted membranes.

PubMed

Akhtar, Parveen; Lingvay, Mónika; Kiss, Teréz; Deák, Róbert; Bóta, Attila; Ughy, Bettina; Garab, Győző; Lambrev, Petar H

2016-04-01

Light-harvesting complex II (LHCII), the major peripheral antenna of Photosystem II in plants, participates in several concerted mechanisms for regulation of the excitation energy and electron fluxes in thylakoid membranes. In part, these include interaction of LHCII with Photosystem I (PSI) enhancing the latter's absorption cross-section - for example in the well-known state 1 - state 2 transitions or as a long-term acclimation to high light. In this work we examined the capability of LHCII to deliver excitations to PSI in reconstituted membranes in vitro. Proteoliposomes with native plant thylakoid membrane lipids and different stoichiometric ratios of LHCII:PSI were reconstituted and studied by steady-state and time-resolved fluorescence spectroscopy. Fluorescence emission from LHCII was strongly decreased in PSI-LHCII membranes due to trapping of excitations by PSI. Kinetic modelling of the time-resolved fluorescence data revealed the existence of separate pools of LHCII distinguished by the time scale of energy transfer. A strongly coupled pool, equivalent to one LHCII trimer per PSI, transferred excitations to PSI with near-unity efficiency on a time scale of less than 10ps but extra LHCIIs also contributed significantly to the effective antenna size of PSI, which could be increased by up to 47% in membranes containing 3 LHCII trimers per PSI. The results demonstrate a remarkable competence of LHCII to increase the absorption cross-section of PSI, given the opportunity that the two types of complexes interact in the membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

Exact results for Schrödinger cats in driven-dissipative systems and their feedback control

NASA Astrophysics Data System (ADS)

Minganti, Fabrizio; Bartolo, Nicola; Lolli, Jared; Casteels, Wim; Ciuti, Cristiano

2016-05-01

In quantum optics, photonic Schrödinger cats are superpositions of two coherent states with opposite phases and with a significant number of photons. Recently, these states have been observed in the transient dynamics of driven-dissipative resonators subject to engineered two-photon processes. Here we present an exact analytical solution of the steady-state density matrix for this class of systems, including one-photon losses, which are considered detrimental for the achievement of cat states. We demonstrate that the unique steady state is a statistical mixture of two cat-like states with opposite parity, in spite of significant one-photon losses. The transient dynamics to the steady state depends dramatically on the initial state and can pass through a metastable regime lasting orders of magnitudes longer than the photon lifetime. By considering individual quantum trajectories in photon-counting configuration, we find that the system intermittently jumps between two cats. Finally, we propose and study a feedback protocol based on this behaviour to generate a pure cat-like steady state.

Mathematical Analysis of Vehicle Delivery Scale of Bike-Sharing Rental Nodes

NASA Astrophysics Data System (ADS)

Zhai, Y.; Liu, J.; Liu, L.

2018-04-01

Aiming at the lack of scientific and reasonable judgment of vehicles delivery scale and insufficient optimization of scheduling decision, based on features of the bike-sharing usage, this paper analyses the applicability of the discrete time and state of the Markov chain, and proves its properties to be irreducible, aperiodic and positive recurrent. Based on above analysis, the paper has reached to the conclusion that limit state (steady state) probability of the bike-sharing Markov chain only exists and is independent of the initial probability distribution. Then this paper analyses the difficulty of the transition probability matrix parameter statistics and the linear equations group solution in the traditional solving algorithm of the bike-sharing Markov chain. In order to improve the feasibility, this paper proposes a "virtual two-node vehicle scale solution" algorithm which considered the all the nodes beside the node to be solved as a virtual node, offered the transition probability matrix, steady state linear equations group and the computational methods related to the steady state scale, steady state arrival time and scheduling decision of the node to be solved. Finally, the paper evaluates the rationality and accuracy of the steady state probability of the proposed algorithm by comparing with the traditional algorithm. By solving the steady state scale of the nodes one by one, the proposed algorithm is proved to have strong feasibility because it lowers the level of computational difficulty and reduces the number of statistic, which will help the bike-sharing companies to optimize the scale and scheduling of nodes.

Combined tunable diode laser absorption spectroscopy and monochromatic radiation thermometry in ammonium dinitramide-based thruster

NASA Astrophysics Data System (ADS)

Zeng, Hui; Ou, Dongbin; Chen, Lianzhong; Li, Fei; Yu, Xilong

2018-02-01

Nonintrusive temperature measurements for a real ammonium dinitramide (ADN)-based thruster by using tunable diode laser absorption spectroscopy and monochromatic radiation thermometry are proposed. The ADN-based thruster represents a promising future space propulsion employing green, nontoxic propellant. Temperature measurements in the chamber enable quantitative thermal analysis for the thruster, providing access to evaluate thermal properties of the thruster and optimize thruster design. A laser-based sensor measures temperature of combustion gas in the chamber, while a monochromatic thermometry system based on thermal radiation is utilized to monitor inner wall temperature in the chamber. Additional temperature measurements of the outer wall temperature are conducted on the injector, catalyst bed, and combustion chamber of the thruster by using thermocouple, respectively. An experimental ADN thruster is redesigned with optimizing catalyst bed length of 14 mm and steady-state firing tests are conducted under various feed pressures over the range from 5 to 12 bar at a typical ignition temperature of 200°C. A threshold of feed pressure higher than 8 bar is required for the thruster's normal operation and upstream movement of the heat release zone is revealed in the combustion chamber out of temperature evolution in the chamber.

Current Pressure Transducer Application of Model-based Prognostics Using Steady State Conditions

NASA Technical Reports Server (NTRS)

Teubert, Christopher; Daigle, Matthew J.

2014-01-01

Prognostics is the process of predicting a system's future states, health degradation/wear, and remaining useful life (RUL). This information plays an important role in preventing failure, reducing downtime, scheduling maintenance, and improving system utility. Prognostics relies heavily on wear estimation. In some components, the sensors used to estimate wear may not be fast enough to capture brief transient states that are indicative of wear. For this reason it is beneficial to be capable of detecting and estimating the extent of component wear using steady-state measurements. This paper details a method for estimating component wear using steady-state measurements, describes how this is used to predict future states, and presents a case study of a current/pressure (I/P) Transducer. I/P Transducer nominal and off-nominal behaviors are characterized using a physics-based model, and validated against expected and observed component behavior. This model is used to map observed steady-state responses to corresponding fault parameter values in the form of a lookup table. This method was chosen because of its fast, efficient nature, and its ability to be applied to both linear and non-linear systems. Using measurements of the steady state output, and the lookup table, wear is estimated. A regression is used to estimate the wear propagation parameter and characterize the damage progression function, which are used to predict future states and the remaining useful life of the system.

Experimental demonstration of revival of oscillations from death in coupled nonlinear oscillators.

PubMed

Senthilkumar, D V; Suresh, K; Chandrasekar, V K; Zou, Wei; Dana, Syamal K; Kathamuthu, Thamilmaran; Kurths, Jürgen

2016-04-01

We experimentally demonstrate that a processing delay, a finite response time, in the coupling can revoke the stability of the stable steady states, thereby facilitating the revival of oscillations in the same parameter space where the coupled oscillators suffered the quenching of oscillation. This phenomenon of reviving of oscillations is demonstrated using two different prototype electronic circuits. Further, the analytical critical curves corroborate that the spread of the parameter space with stable steady state is diminished continuously by increasing the processing delay. Finally, the death state is completely wiped off above a threshold value by switching the stability of the stable steady state to retrieve sustained oscillations in the same parameter space. The underlying dynamical mechanism responsible for the decrease in the spread of the stable steady states and the eventual reviving of oscillation as a function of the processing delay is explained using analytical results.

Pattern Formation in Keller-Segel Chemotaxis Models with Logistic Growth

NASA Astrophysics Data System (ADS)

Jin, Ling; Wang, Qi; Zhang, Zengyan

In this paper, we investigate pattern formation in Keller-Segel chemotaxis models over a multidimensional bounded domain subject to homogeneous Neumann boundary conditions. It is shown that the positive homogeneous steady state loses its stability as chemoattraction rate χ increases. Then using Crandall-Rabinowitz local theory with χ being the bifurcation parameter, we obtain the existence of nonhomogeneous steady states of the system which bifurcate from this homogeneous steady state. Stability of the bifurcating solutions is also established through rigorous and detailed calculations. Our results provide a selection mechanism of stable wavemode which states that the only stable bifurcation branch must have a wavemode number that minimizes the bifurcation value. Finally, we perform extensive numerical simulations on the formation of stable steady states with striking structures such as boundary spikes, interior spikes, stripes, etc. These nontrivial patterns can model cellular aggregation that develop through chemotactic movements in biological systems.

Experimental demonstration of revival of oscillations from death in coupled nonlinear oscillators

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

Senthilkumar, D. V., E-mail: skumarusnld@gmail.com; Centre for Nonlinear Science and Engineering, School of Electrical and Electronics Engineering, SASTRA University, Thanjavur 613 401; Suresh, K.

We experimentally demonstrate that a processing delay, a finite response time, in the coupling can revoke the stability of the stable steady states, thereby facilitating the revival of oscillations in the same parameter space where the coupled oscillators suffered the quenching of oscillation. This phenomenon of reviving of oscillations is demonstrated using two different prototype electronic circuits. Further, the analytical critical curves corroborate that the spread of the parameter space with stable steady state is diminished continuously by increasing the processing delay. Finally, the death state is completely wiped off above a threshold value by switching the stability of themore » stable steady state to retrieve sustained oscillations in the same parameter space. The underlying dynamical mechanism responsible for the decrease in the spread of the stable steady states and the eventual reviving of oscillation as a function of the processing delay is explained using analytical results.« less

Determination of the Steady State Leakage Current in Structures with Ferroelectric Ceramic Films

NASA Astrophysics Data System (ADS)

Podgornyi, Yu. V.; Vorotilov, K. A.; Sigov, A. S.

2018-03-01

Steady state leakage currents have been investigated in capacitor structures with ferroelectric solgel films of lead zirconate titanate (PZT) formed on silicon substrates with a lower Pt electrode. It is established that Pt/PZT/Hg structures, regardless of the PZT film thickness, are characterized by the presence of a rectifying contact similar to p-n junction. The steady state leakage current in the forward direction increases with a decrease in the film thickness and is determined by the ferroelectric bulk conductivity.

Revelations of X-ray spectral analysis of the enigmatic black hole binary GRS 1915+105

NASA Astrophysics Data System (ADS)

Peris, Charith; Remillard, Ronald A.; Steiner, James; Vrtilek, Saeqa Dil; Varniere, Peggy; Rodriguez, Jerome; Pooley, Guy

2016-01-01

Of the black hole binaries discovered thus far, GRS 1915+105 stands out as an exceptional source primarily due to its wild X-ray variability, the diversity of which has not been replicated in any other stellar-mass black hole. Although extreme variability is commonplace in its light-curve, about half of the observations of GRS1915+105 show fairly steady X-ray intensity. We report on the X-ray spectral behavior within these steady observations. Our work is based on a vast RXTE/PCA data set obtained on GRS 1915+105 during the course of its entire mission and 10 years of radio data from the Ryle Telescope, which overlap the X-ray data. We find that the steady observations within the X-ray data set naturally separate into two regions in a color-color diagram, which we refer to as steady-soft and steady-hard. GRS 1915+105 displays significant curvature in the Comptonization component within the PCA band pass suggesting significantly heating from a hot disk present in all states. A new Comptonization model 'simplcut' was developed in order to model this curvature to best effect. A majority of the steady-soft observations display a roughly constant inner radius; remarkably reminiscent of canonical soft state black hole binaries. In contrast, the steady-hard observations display a growing disk truncation that is correlated to the mass accretion rate through the disk, which suggests a magnetically truncated disk. A comparison of X-ray model parameters to the canonical state definitions show that almost all steady-soft observations match the criteria of either thermal or steep power law state, while the thermal state observations dominate the constant radius branch. A large portion (80%) of the steady-hard observations matches the hard state criteria when the disk fraction constraint is neglected. These results suggest that within the complexity of this source is a simpler underlying basis of states, which map to those observed in canonical black hole binaries. When represented in a color-color diagram, state assignments appear to map to ``A, B and C'' (Belloni et al. 2000) regions that govern fast variability cycles in GRS 1915+105 demonstrating a compelling link between short and long time scales in its phenomenology.

ESTIMATING SYSTEMIC EXPOSURE TO ETHINYL ESTRADIOL FROM AN ORAL CONTRACEPTIVE

PubMed Central

WESTHOFF, Carolyn L.; PIKE, Malcolm C.; TANG, Rosalind; DINAPOLI, Marianne N.; SULL, Monica; CREMERS, Serge

2015-01-01

Objectives This study was conducted to compare single-dose pharmacokinetics of ethinyl estradiol in an oral contraceptive to steady-state values, and to assess whether any simpler measures could provide an adequate proxy of the ‘gold standard’ 24-hour steady-state area-under-the-curve. Identifying a simple, less expensive, measure of systemic ethinyl estradiol exposure would be useful for larger studies designed to assess the relationship between an individual’s ethinyl estradiol exposure and her side effects. Study Design We conducted a 13 samples over 24 hours pharmacokinetic analysis on day 1 and day 21 of the first cycle of a monophasic oral contraceptive containing 30 mcg ethinyl estradiol and 150 mcg levonorgestrel in 17 non-obese healthy white women. We also conducted an abbreviated single dose 9-sample pharmacokinetic analysis after a month washout. Ethinyl estradiol was measured by liquid chromatography-tandem mass spectrometry. We compared results of full 13-sample steady-state pharmacokinetic analysis with results calculated using fewer samples (9 or 5) and following the single doses. We calculated Pearson correlation coefficients to evaluate the relationships between these estimates of systemic ethinyl estradiol exposure. Results The area-under-the-curve, maximum (Cmax), and 24-hour (C24) values were similar following the two single oral contraceptive doses (area-under-the-curve, r = 0.92). The steady-state 13-sample 24-hour area-under-the-curve was highly correlated with the average 9-sample area-under-the-curve after the two single doses (r = 0.81, p = 0.0002). This correlation remained the same if the number of samples was reduced to 4, taken at time 1, 2.5, 4 and 24 hours. The C24 at steady-state was highly correlated with the 24-hour steady-state area-under-the-curve (r = 0.92, p < 0.0001). The average of the C24 values following the two single doses was also quite highly correlated with the steady-state area-under-the-curve (r = 0.72, p = 0.0026). Conclusions Limited blood sampling, including results from two single doses, gave highly correlated estimates of an oral contraceptive user’s steady-state ethinyl estradiol exposure. PMID:25511238

Estimating systemic exposure to ethinyl estradiol from an oral contraceptive.

PubMed

Westhoff, Carolyn L; Pike, Malcolm C; Tang, Rosalind; DiNapoli, Marianne N; Sull, Monica; Cremers, Serge

2015-05-01

This study was conducted to compare single-dose pharmacokinetics of ethinyl estradiol in an oral contraceptive with steady-state values and to assess whether any simpler measures could provide an adequate proxy of the "gold standard" 24-hour steady-state area under the curve (AUC) value. Identification of a simple, less expensive measure of systemic ethinyl estradiol exposure would be useful for larger studies that are designed to assess the relationship between an individual's ethinyl estradiol exposure and side-effects. We collected 13 samples over 24 hours for pharmacokinetic analysis on days 1 and 21 of the first cycle of a monophasic oral contraceptive that contained 30 μg ethinyl estradiol and 150 μg levonorgestrel in 17 nonobese healthy white women. We also conducted an abbreviated single-dose 9-sample pharmacokinetic analysis after a month washout. Ethinyl estradiol was measured by liquid chromatography-tandem mass spectrometry. We compared results of a full 13-sample steady-state pharmacokinetic analysis with results that had been calculated with the use of fewer samples (9 or 5) and after the single doses. We calculated Pearson correlation coefficients to evaluate the relationships between these estimates of systemic ethinyl estradiol exposure. The AUC, maximum, and 24-hour values were similar after the 2 single oral contraceptive doses (AUC; r=0.92). The steady-state 13-sample 24-hour AUC value was correlated highly with the average 9-sample AUC value after the 2 single doses (r=0.81; P=.0002). This correlation remained the same if the number of single-dose samples was reduced to 4, taken at time 1, 2.5, 4, and 24 hours. The 24-hour value at steady-state was correlated highly with the 24-hour steady-state AUC value (r=0.92; P<.0001). The average of the 24-hour values after the 2 single doses was also correlated quite highly with the steady-state AUC value (r=0.72; P=.0026). Limited blood sampling, including results from 2 single doses, gave highly correlated estimates of an oral contraceptive user's steady-state ethinyl estradiol exposure. Copyright © 2015 Elsevier Inc. All rights reserved.

Plasmon-Exciton Coupling Interaction for Surface Catalytic Reactions.

PubMed

Wang, Jingang; Lin, Weihua; Xu, Xuefeng; Ma, Fengcai; Sun, Mengtao

2018-05-01

In this review, we firstly reveal the physical principle of plasmon-exciton coupling interaction with steady absorption spectroscopy, and ultrafast transition absorption spectroscopy, based on the pump-prop technology. Secondly, we introduce the fabrication of electro-optical device of two-dimensional semiconductor-nanostructure noble metals hybrid, based on the plasmon-exciton coupling interactions. Thirdly, we introduce the applications of plasmon-exciton coupling interaction in the field of surface catalytic reactions. Lastly, the perspective of plasmon-exciton coupling interaction and applications closed this review. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unveiling the Diffuse, Neutral Interstellar Medium: Absorption Spectroscopy of Galactic Hydrogen

NASA Astrophysics Data System (ADS)

Murray, Claire Elizabeth

The formation of stars and evolution of galaxies depends on the cycle of interstellar matter between supernova-expelled plasma and molecule-rich gas. At the center of this cycle is multiphase neutral hydrogen (HI), whose physical conditions provide key ingredients to theoretical models. However, constraints for HI properties require measurements of gas emission and absorption which have been severely limited by previous observational capabilities. In this thesis, I present the largest survey of Galactic HI absorption ever undertaken with the Karl G. Jansky Very Large Array (VLA). The survey, 21 cm Spectral Line Observations of Neutral Gas with the VLA (21-SPONGE), is a statistical study of HI in all phases using direct absorption measurements. Leveraging novel calibration techniques, I demonstrate the capability of the VLA to detect a significant sample of 21 cm absorption lines from warm, diffuse HI. To maximize observational sensitivity, I stack the 21-SPONGE spectra and detect a pervasive signature of the warm neutral medium in absorption. The inferred excitation (or spin) temperature is consistent with existing estimates, yet higher than predictions from theoretical models of collisional HI excitation. This suggests that radiative feedback via resonant scattering of Lyalpha photons, known as the Wouthuysen-Field effect, is influential with important implications for cosmological 21 cm observations. Next, I compare 21-SPONGE with synthetic HI spectra from 3D numerical simulations using a new, objective decomposition and radiative transfer tool. I quantify the recovery of HI structures and their properties by Gaussian-fitted 21 cm spectral lines for the first time. I find that 21 cm absorption line shapes are sensitive to simulated physics, and demonstrate that my analysis method is a powerful tool for diagnosing neutral ISM conditions. Finally, I compare properties inferred from synthetic spectra with "true" simulation results to construct a bias correction function for estimating HI properties. I apply this correction to the mass distribution of HI as a function of temperature from 21-SPONGE, and find a significant fraction of thermally unstable gas. This confirms that non-steady radiative and dynamical processes, such as turbulence and supernovae, have a strong influence on the thermodynamic state of the ISM.

Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic System T-MATS

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Lavelle, Thomas M.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.

Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS)

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Lavelle, Thomas M.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.

Coherent quantum dynamics in steady-state manifolds of strongly dissipative systems.

PubMed

Zanardi, Paolo; Campos Venuti, Lorenzo

2014-12-12

Recently, it has been realized that dissipative processes can be harnessed and exploited to the end of coherent quantum control and information processing. In this spirit, we consider strongly dissipative quantum systems admitting a nontrivial manifold of steady states. We show how one can enact adiabatic coherent unitary manipulations, e.g., quantum logical gates, inside this steady-state manifold by adding a weak, time-rescaled, Hamiltonian term into the system's Liouvillian. The effective long-time dynamics is governed by a projected Hamiltonian which results from the interplay between the weak unitary control and the fast relaxation process. The leakage outside the steady-state manifold entailed by the Hamiltonian term is suppressed by an environment-induced symmetrization of the dynamics. We present applications to quantum-computation in decoherence-free subspaces and noiseless subsystems and numerical analysis of nonadiabatic errors.

Fluctuations, Stratification and Stability in a Liquid Fluidized Bed at Low Reynolds Number

NASA Technical Reports Server (NTRS)

Segre, P. N.; McClymer, J. P.

2004-01-01

The sedimentation dynamics of extremely low polydispersity, non-colloidal, particles are studied in a liquid fluidized bed at low Reynolds number, Re much less than 1. When fluidized, the system reaches a steady state, defined where the local average volume fraction does not vary in time. In steady state, the velocity fluctuations and the particle concentrations are found to strongly depend on height. Using our results, we test a recently developed stability model for steady state sedimentation. The model describes the data well, and shows that in steady state there is a balancing of particle fluxes due to the fluctuations and the concentration gradient. Some results are also presented for the dependence of the concentration gradient in fluidized beds on particle size; the gradients become smaller as the particles become larger and fewer in number.

Acetylcholine-activated ionic currents in parasympathetic neurons of bullfrog heart.

PubMed

Tateishi, N; Kim, D K; Akaike, N

1990-05-01

1. The electrical and pharmacologic properties of acetylcholine (ACh)-induced current (IACh) were studied in the parasympathetic neurons isolated from bullfrog heart with the use of the concentration-clamp technique, which allows intracellular perfusion and rapid change of external solution within 2 ms under the single-electrode voltage-clamp condition. 2. The IACh consisted of an initial transient peak component and a successive steady-state plateau component. Both currents increased in a sigmoidal fashion with increasing ACh concentration. The dissociation constant (Kd value) and the Hill coefficient for each component were 2.2 X 10(-5) M and 1.6, respectively. 3. In the K(+)-free solution, the reversal potential (EACh) of IACh was close to the Na+ equilibrium potential (ENa). The current-voltage (I-V) relation showed inward rectification at positive potentials. 4. Nicotine mimicked only the peak component of IACh. However both peak and steady-state components were blocked nonselectively by the nicotinic blockers d-tubocurarine and hexamethonium. 5. Carbamylcholine (CCh) mimicked the steady-state component of IACh. The steady-state component was selectively inhibited by atropine at concentrations 1,000 times lower than that required for inhibition of the peak component. The steady state was blocked equally by either pirenzepine (M1 blocker) or AF-DX-116 (M2 blocker). 6. It was concluded that the IACh consisted of a peak component having double exponential activation and inactivation, mediated through the nicotinic actions, and a steady-state component having no inactivation, mediated through the muscarinic action.

Auditory steady-state response in cochlear implant patients.

PubMed

Torres-Fortuny, Alejandro; Arnaiz-Marquez, Isabel; Hernández-Pérez, Heivet; Eimil-Suárez, Eduardo

2018-03-19

Auditory steady state responses to continuous amplitude modulated tones at rates between 70 and 110Hz, have been proposed as a feasible alternative to objective frequency specific audiometry in cochlear implant subjects. The aim of the present study is to obtain physiological thresholds by means of auditory steady-state response in cochlear implant patients (Clarion HiRes 90K), with acoustic stimulation, on free field conditions and to verify its biological origin. 11 subjects comprised the sample. Four amplitude modulated tones of 500, 1000, 2000 and 4000Hz were used as stimuli, using the multiple frequency technique. The recording of auditory steady-state response was also recorded at 0dB HL of intensity, non-specific stimulus and using a masking technique. The study enabled the electrophysiological thresholds to be obtained for each subject of the explored sample. There were no auditory steady-state responses at either 0dB or non-specific stimulus recordings. It was possible to obtain the masking thresholds. A difference was identified between behavioral and electrophysiological thresholds of -6±16, -2±13, 0±22 and -8±18dB at frequencies of 500, 1000, 2000 and 4000Hz respectively. The auditory steady state response seems to be a suitable technique to evaluate the hearing threshold in cochlear implant subjects. Copyright © 2018 Sociedad Española de Otorrinolaringología y Cirugía de Cabeza y Cuello. Publicado por Elsevier España, S.L.U. All rights reserved.

Single-dose and steady-state pharmacokinetics of tenofovir disoproxil fumarate in human immunodeficiency virus-infected children.

PubMed

Hazra, Rohan; Balis, Frank M; Tullio, Antonella N; DeCarlo, Ellen; Worrell, Carol J; Steinberg, Seth M; Flaherty, John F; Yale, Kitty; Poblenz, Marianne; Kearney, Brian P; Zhong, Lijie; Coakley, Dion F; Blanche, Stephane; Bresson, Jean Louis; Zuckerman, Judith A; Zeichner, Steven L

2004-01-01

Tenofovir disoproxil fumarate (DF) is a potent nucleotide analog reverse transcriptase inhibitor approved for the treatment of human immunodeficiency virus (HIV)-infected adults. The single-dose and steady-state pharmacokinetics of tenofovir were evaluated following administration of tenofovir DF in treatment-experienced HIV-infected children requiring a change in antiretroviral therapy. Using increments of tenofovir DF 75-mg tablets, the target dose was 175 mg/m(2); the median administered dose was 208 mg/m(2). Single-dose pharmacokinetics were evaluated in 18 subjects, and the geometric mean area under the concentration-time curve from 0 h to infinity (AUC(0- infinity )) was 2,150 ng. h/ml and the geometric mean maximum concentration (C(max)) was 266 ng/ml. Subsequently, other antiretrovirals were added to each patient's regimen based upon treatment history and baseline viral resistance results. Steady-state pharmacokinetics were evaluated in 16 subjects at week 4. The steady-state, geometric mean AUC for the 24-h dosing interval was 2,920 ng. h/ml and was significantly higher than the AUC(0- infinity ) after the first dose (P = 0.0004). The geometric mean C(max) at steady state was 302 ng/ml. Tenofovir DF was generally very well tolerated. Steady-state tenofovir exposures in children receiving tenofovir DF-containing combination antiretroviral therapy approached values seen in HIV-infected adults (AUC, approximately 3,000 ng. h/ml; C(max), approximately 300 ng/ml) treated with tenofovir DF at 300 mg.

Ultrafiltration technology with a ceramic membrane for reactive dye removal: optimization of membrane performance.

PubMed

Alventosa-deLara, E; Barredo-Damas, S; Alcaina-Miranda, M I; Iborra-Clar, M I

2012-03-30

An ultrafiltration (UF) ceramic membrane was used to decolorize Reactive Black 5 (RB5) solutions at different dye concentrations (50 and 500 mg/L). Transmembrane pressure (TMP) and cross-flow velocity (CFV) were modified to study their influence on initial and steady-state permeate flux (J(p)) and dye rejection (R). Generally, J(p) increased with higher TMP and CFV and lower feed concentration, up to a maximum steady-state J(p) of 266.81 L/(m(2)h), obtained at 3 bar, 3m/s and 50mg/L. However, there was a TMP value (which changed depending on operating CFV and concentration) beyond which slight or no further increase in steady-state J(p) was observed. Similarly, the higher the CFV was, the more slightly the steady-state J(p) increased. Furthermore, the effectiveness of ultrafiltration treatment was evaluated through dye rejection coefficient. The results showed significant dye removals, regardless of the tested conditions, with steady-state R higher than 79.8% for the 50mg/L runs and around 73.2% for the 500 mg/L runs. Finally response surface methodology (RSM) was used to optimize membrane performance. At 50mg/L, a TMP of 4 bar and a CFV of 2.53 m/s were found to be the conditions giving the highest steady-state J(p), 255.86 L/(m(2)h), and the highest R, 95.2% simultaneously. Copyright © 2012 Elsevier B.V. All rights reserved.

Long-Lived Triplet Excited States of Bent-Shaped Pentacene Dimers by Intramolecular Singlet Fission.

PubMed

Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Mori, Tadashi; Wada, Takehiko; Tkachenko, Nikolai V; Hasobe, Taku

2016-03-24

Intramolecular singlet fission (ISF) is a promising photophysical process to construct more efficient light energy conversion systems as one excited singlet state converts into two excited triplet states. Herein we synthesized and evaluated bent-shaped pentacene dimers as a prototype of ISF to reveal intrinsic characters of triplet states (e.g., lifetimes of triplet excited states). In this study, meta-phenylene-bridged TIPS-pentacene dimer (PcD-3Ph) and 2,2'-bipheynyl bridged TIPS-pentacene dimer (PcD-Biph) were newly synthesized as bent-shaped dimers. In the steady-state spectroscopy, absorption and emission bands of these dimers were fully characterized, suggesting the appropriate degree of electronic coupling between pentacene moieties in these dimers. In addition, the electrochemical measurements were also performed to check the electronic interaction between two pentacene moieties. Whereas the successive two oxidation peaks owing to the delocalization were observed in a directly linked-pentacene dimer (PcD) by a single bond, the cyclic voltammograms in PcD-Biph and PcD-3Ph implied the weaker interaction compared to that of p-phenylene-bridged TIPS-pentacene dimer (PcD-4Ph) and PcD. The femtosecond and nanosecond transient absorption spectra clearly revealed the slower ISF process in bent-shaped pentacene dimers (PcD-Biph and PcD-3Ph), more notably, the slower relaxation of the excited triplet states in PcD-Biph and PcD-3Ph. Namely, the quantum yields of triplet states (ΦT) by ISF approximately remain constant (ca. 180-200%) in all dimer systems, whereas the lifetimes of the triplet excited states became much longer (up to 360 ns) in PcD-Biph as compared to PcD-4Ph (15 ns). Additionally, the lifetimes of the corresponding triplet states in PcD-Biph and PcD-3Ph were sufficiently affected by solvent viscosity. In particular, the lifetimes of PcD-Biph triplet state in THF/paraffin (1.0 μs) increased up to approximately three times as compared to that in THF (360 ns), whereas those of PcD-4Ph were quite similar in both solvent.

Basin stability measure of different steady states in coupled oscillators

NASA Astrophysics Data System (ADS)

Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar

2017-04-01

In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis.

Copernicus observational searches for OH and H2O in diffuse clouds

NASA Technical Reports Server (NTRS)

Smith, W. H.; Snow, T. P., Jr.

1983-01-01

An intensive search for OH and H2O in the directions of sigma Sco, alpha Cam, and micron Per was undertaken with the Copernicus satellite. Multiple scans were carried out over the wavelength region for the expected absorption features due to the OH D-X and H2O C-X transitions. The feature due to OH was detected marginally towards sigma Sco, and only an upper limit can be given towards alpha Cam. H2O was not detected in any of the stars at the signal level accumulated. The OH abundance towards sigma Sco and the respective lower limits for the OH/H2O ratios are discussed with regard to the extant models for the steady state abundances of OH and H2O, and shown not to be inconsistent with ion-molecule schemes.

Shock-to-detonation transition of nitromethane: Time-resolved emission spectroscopy measurements

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

Bouyer, Viviane; Darbord, Isabelle; Herve, Philippe

2006-01-01

The objective of this work is to improve the knowledge of the shock-to-detonation transition of nitromethane. The study is based on a spectral analysis in the range 0.3-0.85 {mu}m, with a 28-nm resolution, during experiments of plane shock impacts on explosive targets at 8.6 GPa. The time-resolved radiant spectra show that the detonation front, the reaction products produced during the superdetonation, and the detonation products are semitransparent. The temperature and absorption coefficient profiles are determined from the measured spectra by a mathematical inversion method based on the equation of radiative transfer with Rayleigh scattering regime. Shocked nitromethane reaches at leastmore » 2500 K, showing the existence of local chemical reactions after shock entrance. Levels of temperature of superdetonation and steady-state detonation are also determined.« less

Copernicus observational searches for OH and H2O in diffuse clouds

NASA Technical Reports Server (NTRS)

Smith, W. H.; Snow, T. P., Jr.

1979-01-01

An intensive search for OH and H2O in the directions of Sigma Sco, Alpha Cam, and Omicron Per was undertaken with the Copernicus satellite. Multiple scans were carried out over the wavelength region for the expected absorption features due to the OH D-X and H2O C-X transitions. The feature due to OH was possibly detected toward Sigma Sco, and only an upper limit can be given toward Alpha Cam. H2O was not detected in any of the stars at the signal level accumulated. The OH abundance toward Sigma Sco and the respective lower limits for the OH/H2O ratios are discussed with regard to the extant models for the steady-state abundances of OH and H2O, and shown not to be inconsistent with ion-molecule schemes.

An experimental study of laser-supported plasmas for laser propulsion: Center director's discretionary fund project DFP-82-33

NASA Technical Reports Server (NTRS)

Eskridge, R. H.; Mccay, T. D.; Vanzandt, D. M.

1987-01-01

The rudiments of a rocket thruster, which receives its enthalpy from an energy source which is remotely beamed from a laser, is described. An experimental study, now partially complete, is discussed which will eventually provide a detailed understanding of the physics for assessing the feasibility of using hydrogen plasmas for accepting and converting this energy to enthalpy. A plasma ignition scheme which uses a pulsed CO2 laser was develped and the properites of the ignition spark documented, including breakdown intensities in hydrogen. A complete diagnostic system capable of determining plasma temperature and the plasma absorptivitiy for subsequent steady-state absorption of a high power CO2 laser beam are developed and demonstrative use is discussed for the preliminary case study, a two atmosphere laser supported argon plasma.

Nonlinear response of silicon photonic crystal microresonators excited via an integrated waveguide and fiber taper.

PubMed

Barclay, Paul; Srinivasan, Kartik; Painter, Oskar

2005-02-07

A technique is demonstrated which efficiently transfers light between a tapered standard single-mode optical fiber and a high-Q, ultra-small mode volume, silicon photonic crystal resonant cavity. Cavity mode quality factors of 4.7x10(4) are measured, and a total fiber-to-cavity coupling efficiency of 44% is demonstrated. Using this efficient cavity input and output channel, the steady-state nonlinear absorption and dispersion of the photonic crystal cavity is studied. Optical bistability is observed for fiber input powers as low as 250 microW, corresponding to a dropped power of 100 microW and 3 fJ of stored cavity energy. A high-density effective free-carrier lifetime for these silicon photonic crystal resonators of ~ 0.5 ns is also estimated from power dependent loss and dispersion measurements.

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

Wang, Jianping, E-mail: jwang@iccas.ac.cn; Yang, Fan; Zhao, Juan

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH{sub 3}CN, CHCl{sub 3}, and CCl{sub 4}), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics ofmore » NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed.« less

Inelastic electron injection in a water chain

PubMed Central

Rizzi, Valerio; Todorov, Tchavdar N.; Kohanoff, Jorge J.

2017-01-01

Irradiation of biological matter triggers a cascade of secondary particles that interact with their surroundings, resulting in damage. Low-energy electrons are one of the main secondary species and electron-phonon interaction plays a fundamental role in their dynamics. We have developed a method to capture the electron-phonon inelastic energy exchange in real time and have used it to inject electrons into a simple system that models a biological environment, a water chain. We simulated both an incoming electron pulse and a steady stream of electrons and found that electrons with energies just outside bands of excited molecular states can enter the chain through phonon emission or absorption. Furthermore, this phonon-assisted dynamical behaviour shows great sensitivity to the vibrational temperature, highlighting a crucial controlling factor for the injection and propagation of electrons in water. PMID:28350013

Development of traceable measurement of the diffuse optical properties of solid reference standards for biomedical optics at National Institute of Standards and Technology.

PubMed

Lemaillet, Paul; Bouchard, Jean-Pierre; Allen, David W

2015-07-01

The development of a national reference instrument dedicated to the measurement of the scattering and absorption properties of solid tissue-mimicking phantoms used as reference standards is presented. The optical properties of the phantoms are measured with a double-integrating sphere setup in the steady-state domain, coupled with an inversion routine of the adding-doubling procedure that allows for the computation of the uncertainty budget for the measurements. The results are compared to the phantom manufacturer's values obtained by a time-resolved approach. The results suggest that the agreement between these two independent methods is within the estimated uncertainties. This new reference instrument will provide optical biomedical research laboratories with reference values for absolute diffuse optical properties of phantom materials.

An optimizing start-up strategy for a bio-methanator.

PubMed

Sbarciog, Mihaela; Loccufier, Mia; Vande Wouwer, Alain

2012-05-01

This paper presents an optimizing start-up strategy for a bio-methanator. The goal of the control strategy is to maximize the outflow rate of methane in anaerobic digestion processes, which can be described by a two-population model. The methodology relies on a thorough analysis of the system dynamics and involves the solution of two optimization problems: steady-state optimization for determining the optimal operating point and transient optimization. The latter is a classical optimal control problem, which can be solved using the maximum principle of Pontryagin. The proposed control law is of the bang-bang type. The process is driven from an initial state to a small neighborhood of the optimal steady state by switching the manipulated variable (dilution rate) from the minimum to the maximum value at a certain time instant. Then the dilution rate is set to the optimal value and the system settles down in the optimal steady state. This control law ensures the convergence of the system to the optimal steady state and substantially increases its stability region. The region of attraction of the steady state corresponding to maximum production of methane is considerably enlarged. In some cases, which are related to the possibility of selecting the minimum dilution rate below a certain level, the stability region of the optimal steady state equals the interior of the state space. Aside its efficiency, which is evaluated not only in terms of biogas production but also from the perspective of treatment of the organic load, the strategy is also characterized by simplicity, being thus appropriate for implementation in real-life systems. Another important advantage is its generality: this technique may be applied to any anaerobic digestion process, for which the acidogenesis and methanogenesis are, respectively, characterized by Monod and Haldane kinetics.

Pharmacokinetic Steady-States Highlight Interesting Target-Mediated Disposition Properties.

PubMed

Gabrielsson, Johan; Peletier, Lambertus A

2017-05-01

In this paper, we derive explicit expressions for the concentrations of ligand L, target R and ligand-target complex RL at steady state for the classical model describing target-mediated drug disposition, in the presence of a constant-rate infusion of ligand. We demonstrate that graphing the steady-state values of ligand, target and ligand-target complex, we obtain striking and often singular patterns, which yield a great deal of insight and understanding about the underlying processes. Deriving explicit expressions for the dependence of L, R and RL on the infusion rate, and displaying graphs of the relations between L, R and RL, we give qualitative and quantitive information for the experimentalist about the processes involved. Understanding target turnover is pivotal for optimising these processes when target-mediated drug disposition (TMDD) prevails. By a combination of mathematical analysis and simulations, we also show that the evolution of the three concentration profiles towards their respective steady-states can be quite complex, especially for lower infusion rates. We also show how parameter estimates obtained from iv bolus studies can be used to derive steady-state concentrations of ligand, target and complex. The latter may serve as a template for future experimental designs.

STEADY-STATE MODEL OF SOLAR WIND ELECTRONS REVISITED

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

Yoon, Peter H.; Kim, Sunjung; Choe, G. S., E-mail: yoonp@umd.edu

2015-10-20

In a recent paper, Kim et al. put forth a steady-state model for the solar wind electrons. The model assumed local equilibrium between the halo electrons, characterized by an intermediate energy range, and the whistler-range fluctuations. The basic wave–particle interaction is assumed to be the cyclotron resonance. Similarly, it was assumed that a dynamical steady state is established between the highly energetic superhalo electrons and high-frequency Langmuir fluctuations. Comparisons with the measured solar wind electron velocity distribution function (VDF) during quiet times were also made, and reasonable agreements were obtained. In such a model, however, only the steady-state solution for themore » Fokker–Planck type of electron particle kinetic equation was considered. The present paper complements the previous analysis by considering both the steady-state particle and wave kinetic equations. It is shown that the model halo and superhalo electron VDFs, as well as the assumed wave intensity spectra for the whistler and Langmuir fluctuations, approximately satisfy the quasi-linear wave kinetic equations in an approximate sense, thus further validating the local equilibrium model constructed in the paper by Kim et al.« less

Noncontrast-enhanced renal angiography using multiple inversion recovery and alternating TR balanced steady-state free precession.

PubMed

Dong, Hattie Z; Worters, Pauline W; Wu, Holden H; Ingle, R Reeve; Vasanawala, Shreyas S; Nishimura, Dwight G

2013-08-01

Noncontrast-enhanced renal angiography techniques based on balanced steady-state free precession avoid external contrast agents, take advantage of high inherent blood signal from the T 2 / T 1 contrast mechanism, and have short steady-state free precession acquisition times. However, background suppression is limited; inflow times are inflexible; labeling region is difficult to define when tagging arterial flow; and scan times are long. To overcome these limitations, we propose the use of multiple inversion recovery preparatory pulses combined with alternating pulse repetition time balanced steady-state free precession to produce renal angiograms. Multiple inversion recovery uses selective spatial saturation followed by four nonselective inversion recovery pulses to concurrently null a wide range of background T 1 species while allowing for adjustable inflow times; alternating pulse repetition time steady-state free precession maintains vessel contrast and provides added fat suppression. The high level of suppression enables imaging in three-dimensional as well as projective two-dimensional formats, the latter of which has a scan time as short as one heartbeat. In vivo studies at 1.5 T demonstrate the superior vessel contrast of this technique. © 2012 Wiley Periodicals, Inc.

Hybrid Cascading Outage Analysis of Extreme Events with Optimized Corrective Actions

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

Vallem, Mallikarjuna R.; Vyakaranam, Bharat GNVSR; Holzer, Jesse T.

2017-10-19

Power system are vulnerable to extreme contingencies (like an outage of a major generating substation) that can cause significant generation and load loss and can lead to further cascading outages of other transmission facilities and generators in the system. Some cascading outages are seen within minutes following a major contingency, which may not be captured exclusively using the dynamic simulation of the power system. The utilities plan for contingencies either based on dynamic or steady state analysis separately which may not accurately capture the impact of one process on the other. We address this gap in cascading outage analysis bymore » developing Dynamic Contingency Analysis Tool (DCAT) that can analyze hybrid dynamic and steady state behavior of the power system, including protection system models in dynamic simulations, and simulating corrective actions in post-transient steady state conditions. One of the important implemented steady state processes is to mimic operator corrective actions to mitigate aggravated states caused by dynamic cascading. This paper presents an Optimal Power Flow (OPF) based formulation for selecting corrective actions that utility operators can take during major contingency and thus automate the hybrid dynamic-steady state cascading outage process. The improved DCAT framework with OPF based corrective actions is demonstrated on IEEE 300 bus test system.« less

Portable, Fiber-Based, Diffuse Reflection Spectroscopy (DRS) Systems for Estimating Tissue Optical Properties.

PubMed

Vishwanath, Karthik; Chang, Kevin; Klein, Daniel; Deng, Yu Feng; Chang, Vivide; Phelps, Janelle E; Ramanujam, Nimmi

2011-02-01

Steady-state diffuse reflection spectroscopy is a well-studied optical technique that can provide a noninvasive and quantitative method for characterizing the absorption and scattering properties of biological tissues. Here, we compare three fiber-based diffuse reflection spectroscopy systems that were assembled to create a light-weight, portable, and robust optical spectrometer that could be easily translated for repeated and reliable use in mobile settings. The three systems were built using a broadband light source and a compact, commercially available spectrograph. We tested two different light sources and two spectrographs (manufactured by two different vendors). The assembled systems were characterized by their signal-to-noise ratios, the source-intensity drifts, and detector linearity. We quantified the performance of these instruments in extracting optical properties from diffuse reflectance spectra in tissue-mimicking liquid phantoms with well-controlled optical absorption and scattering coefficients. We show that all assembled systems were able to extract the optical absorption and scattering properties with errors less than 10%, while providing greater than ten-fold decrease in footprint and cost (relative to a previously well-characterized and widely used commercial system). Finally, we demonstrate the use of these small systems to measure optical biomarkers in vivo in a small-animal model cancer therapy study. We show that optical measurements from the simple portable system provide estimates of tumor oxygen saturation similar to those detected using the commercial system in murine tumor models of head and neck cancer.

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

NASA Astrophysics Data System (ADS)

Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier

2018-04-01

Bio-macromolecules as DNA, lipid membranes and (poly)peptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes – often drugs or pollutants – that can (photo)sensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photo)sensitizers. Namely, absorption, emission and electronic circular dichroism (CD) spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i) to enhance absorption in the red and infra-red windows and (ii) to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/ molecular mechanics (QM/MM) methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

Temperature effects on quasi-isolated conjugated polymers as revealed by temperature-dependent optical spectra of 16-mer oligothiophene diluted in a sold matrix.

PubMed

Kanemoto, Katsuichi; Akai, Ichiro; Sugisaki, Mitsuru; Hashimoto, Hideki; Karasawa, Tsutomu; Negishi, Nobukazu; Aso, Yoshio

2009-06-21

Temperature dependences (4-300 K) of photoluminescence (PL) and absorption spectra of 16-mer oligothiophene (16 T) extremely diluted in polypropylene (PP) have been investigated in order to clarify temperature effects on quasi-isolated conjugated polymers. The PL and absorption spectra are found to blueshift with increasing temperature. The reason for the blueshift is discussed by comparing models based on the refractive index of the solvent (PP) and on the thermal conformational change of 16 T. The blueshift is concluded to result from the thermal conformational change. Time-resolved PL spectra show a redshift of PL band following photoexcitation (spectral migration). The amount of the migration is shown to increase with increasing temperature. The increased migration is concluded to be due to the thermal conformational change. The temperature dependence of the effective conjugation length (ECL) of 16 T is calculated for the absorption and PL transitions. The calculation suggests that ECL is reduced at room temperature to two-thirds of the intrinsic chain length. The activation energy of the conformational change is estimated to be 22.4 meV from the temperature dependence of ECL. We demonstrate that the steady-state PL spectra are well reproduced by simple Franck-Condon analyses using a single Huang-Ryes factor over a wide temperature range. The analyses reveal features of temperature dependence in important spectral parameters such as the Stokes shift, linewidth, and Huang-Ryes factor.

Modified fluctuation-dissipation and Einstein relation at nonequilibrium steady states

NASA Astrophysics Data System (ADS)

Chaudhuri, Debasish; Chaudhuri, Abhishek

2012-02-01

Starting from the pioneering work of Agarwal [G. S. Agarwal, Zeitschrift für PhysikEPJAFV1434-600110.1007/BF01391621 252, 25 (1972)], we present a unified derivation of a number of modified fluctuation-dissipation relations (MFDR) that relate response to small perturbations around nonequilibrium steady states to steady-state correlations. Using this formalism we show the equivalence of velocity forms of MFDR derived using continuum Langevin and discrete master equation dynamics. The resulting additive correction to the Einstein relation is exemplified using a flashing ratchet model of molecular motors.

Steady-state entanglement activation in optomechanical cavities

NASA Astrophysics Data System (ADS)

Farace, Alessandro; Ciccarello, Francesco; Fazio, Rosario; Giovannetti, Vittorio

2014-02-01

Quantum discord, and related indicators, are raising a relentless interest as a novel paradigm of nonclassical correlations beyond entanglement. Here, we discover a discord-activated mechanism yielding steady-state entanglement production in a realistic continuous-variable setup. This comprises two coupled optomechanical cavities, where the optical modes (OMs) communicate through a fiber. We first use a simplified model to highlight the creation of steady-state discord between the OMs. We show next that such discord improves the level of stationary optomechanical entanglement attainable in the system, making it more robust against temperature and thermal noise.

A mechanical energy analysis of gait initiation

NASA Technical Reports Server (NTRS)

Miller, C. A.; Verstraete, M. C.

1999-01-01

The analysis of gait initiation (the transient state between standing and walking) is an important diagnostic tool to study pathologic gait and to evaluate prosthetic devices. While past studies have quantified mechanical energy of the body during steady-state gait, to date no one has computed the mechanical energy of the body during gait initiation. In this study, gait initiation in seven normal male subjects was studied using a mechanical energy analysis to compute total body energy. The data showed three separate states: quiet standing, gait initiation, and steady-state gait. During gait initiation, the trends in the energy data for the individual segments were similar to those seen during steady-state gait (and in Winter DA, Quanbury AO, Reimer GD. Analysis of instantaneous energy of normal gait. J Biochem 1976;9:253-257), but diminished in amplitude. However, these amplitudes increased to those seen in steady-state during the gait initiation event (GIE), with the greatest increase occurring in the second step due to the push-off of the foundation leg. The baseline level of mechanical energy was due to the potential energy of the individual segments, while the cyclic nature of the data was indicative of the kinetic energy of the particular leg in swing phase during that step. The data presented showed differences in energy trends during gait initiation from those of steady state, thereby demonstrating the importance of this event in the study of locomotion.

Dispersion of a Nanoliter Bolus in Microfluidic Co-Flow.

PubMed

Conway, A J; Saadi, W M; Sinatra, F L; Kowalski, G; Larson, D; Fiering, J

2014-03-01

Microfluidic systems enable reactions and assays on the scale of nanoliters. However, at this scale nonuniformities in sample delivery become significant. To determine the fundamental minimum sample volume required for a particular device, a detailed understanding of mass transport is required. Co-flowing laminar streams are widely used in many devices, but typically only in the steady-state. Because establishing the co-flow steady-state consumes excess sample volume and time, there is a benefit to operating devices in the transient state, which predominates as the volume of the co-flow reactor decreases. Analysis of the co-flow transient has been neglected thus far. In this work we describe the fabrication of a pneumatically controlled microfluidic injector constructed to inject a discrete 50nL bolus into one side of a two-stream co-flow reactor. Using dye for image analysis, injections were performed at a range of flow rates from 0.5-10μL/min, and for comparison we collected the co-flow steady-state data for this range. The results of the image analysis were also compared against theory and simulations for device validation. For evaluation, we established a metric that indicates how well the mass distribution in the bolus injection approximates steady-state co-flow. Using such analysis, transient-state injections can approximate steady-state conditions within predefined errors, allowing straight forward measurements to be performed with reduced reagent consumption.

Effect of Steady-State Faldaprevir on the Pharmacokinetics of Steady-State Methadone and Buprenorphine-Naloxone in Subjects Receiving Stable Addiction Management Therapy

PubMed Central

Joseph, David; Schobelock, Michael J.; Riesenberg, Robert R.; Vince, Bradley D.; Webster, Lynn R.; Adeniji, Abidemi; Elgadi, Mabrouk

2014-01-01

The effects of steady-state faldaprevir on the safety, pharmacokinetics, and pharmacodynamics of steady-state methadone and buprenorphine-naloxone were assessed in 34 healthy male and female subjects receiving stable addiction management therapy. Subjects continued receiving a stable oral dose of either methadone (up to a maximum dose of 180 mg per day) or buprenorphine-naloxone (up to a maximum dose of 24 mg-6 mg per day) and also received oral faldaprevir (240 mg) once daily (QD) for 8 days following a 480-mg loading dose. Serial blood samples were taken for pharmacokinetic analysis. The pharmacodynamics of the opioid maintenance regimens were evaluated by the objective and subjective opioid withdrawal scales. Coadministration of faldaprevir with methadone or buprenorphine-naloxone resulted in geometric mean ratios for the steady-state area under the concentration-time curve from 0 to 24 h (AUC0–24,ss), the steady-state maximum concentration of the drug in plasma (Cmax,ss), and the steady-state concentration of the drug in plasma at 24 h (C24,ss) of 0.92 to 1.18 for (R)-methadone, (S)-methadone, buprenorphine, norbuprenorphine, and naloxone, with 90% confidence intervals including, or very close to including, 1.00 (no effect), suggesting a limited overall effect of faldaprevir. Although individual data showed moderate variability in the exposures between subjects and treatments, there was no evidence of symptoms of opiate overdose or withdrawal either during the coadministration of faldaprevir with methadone or buprenorphine-naloxone or after faldaprevir dosing was stopped. Similar faldaprevir exposures were observed in the methadone- and buprenorphine-naloxone-treated subjects. In conclusion, faldaprevir at 240 mg QD can be coadministered with methadone or buprenorphine-naloxone without dose adjustment, although given the relatively narrow therapeutic windows of these agents, monitoring for opiate overdose and withdrawal may still be appropriate. (This study has been registered at ClinicalTrials.gov under registration no. NCT01637922.) PMID:25385094

A nodally condensed SUPG formulation for free-surface computation of steady-state flows constrained by unilateral contact - Application to rolling

NASA Astrophysics Data System (ADS)

Arora, Shitij; Fourment, Lionel

2018-05-01

In the context of the simulation of industrial hot forming processes, the resultant time-dependent thermo-mechanical multi-field problem (v →,p ,σ ,ɛ ) can be sped up by 10-50 times using the steady-state methods while compared to the conventional incremental methods. Though the steady-state techniques have been used in the past, but only on simple configurations and with structured meshes, and the modern-days problems are in the framework of complex configurations, unstructured meshes and parallel computing. These methods remove time dependency from the equations, but introduce an additional unknown into the problem: the steady-state shape. This steady-state shape x → can be computed as a geometric correction t → on the domain X → by solving the weak form of the steady-state equation v →.n →(t →)=0 using a Streamline Upwind Petrov Galerkin (SUPG) formulation. There exists a strong coupling between the domain shape and the material flow, hence, a two-step fixed point iterative resolution algorithm was proposed that involves (1) the computation of flow field from the resolution of thermo-mechanical equations on a prescribed domain shape and (2) the computation of steady-state shape for an assumed velocity field. The contact equations are introduced in the penalty form both during the flow computation as well as during the free-surface correction. The fact that the contact description is inhomogeneous, i.e., it is defined in the nodal form in the former, and in the weighted residual form in the latter, is assumed to be critical to the convergence of certain problems. Thus, the notion of nodal collocation is invoked in the weak form of the surface correction equation to homogenize the contact coupling. The surface correction algorithm is tested on certain analytical test cases and the contact coupling is tested with some hot rolling problems.

Higher Accuracy of the Lactate Minimum Test Compared to Established Threshold Concepts to Determine Maximal Lactate Steady State in Running.

PubMed

Wahl, Patrick; Zwingmann, Lukas; Manunzio, Christian; Wolf, Jacob; Bloch, Wilhelm

2018-05-18

This study evaluated the accuracy of the lactate minimum test, in comparison to a graded-exercise test and established threshold concepts (OBLA and mDmax) to determine running speed at maximal lactate steady state. Eighteen subjects performed a lactate minimum test, a graded-exercise test (2.4 m·s -1 start,+0.4 m·s -1 every 5 min) and 2 or more constant-speed tests of 30 min to determine running speed at maximal lactate steady state. The lactate minimum test consisted of an initial lactate priming segment, followed by a short recovery phase. Afterwards, the initial load of the subsequent incremental segment was individually determined and was increased by 0.1 m·s -1 every 120 s. Lactate minimum was determined by the lowest measured value (LM abs ) and by a third-order polynomial (LM pol ). The mean difference to maximal lactate steady state was+0.01±0.14 m·s -1 (LM abs ), 0.04±0.15 m·s -1 (LM pol ), -0.06±0.31 m·s 1 (OBLA) and -0.08±0.21 m·s 1 (mDmax). The intraclass correlation coefficient (ICC) between running velocity at maximal lactate steady state and LM abs was highest (ICC=0.964), followed by LM pol (ICC=0.956), mDmax (ICC=0.916) and OBLA (ICC=0.885). Due to the higher accuracy of the lactate minimum test to determine maximal lactate steady state compared to OBLA and mDmax, we suggest the lactate minimum test as a valid and meaningful concept to estimate running velocity at maximal lactate steady state in a single session for moderately up to well-trained athletes. © Georg Thieme Verlag KG Stuttgart · New York.

The Effects of High Intensity Interval Training vs Steady State Training on Aerobic and Anaerobic Capacity

PubMed Central

Foster, Carl; Farland, Courtney V.; Guidotti, Flavia; Harbin, Michelle; Roberts, Brianna; Schuette, Jeff; Tuuri, Andrew; Doberstein, Scott T.; Porcari, John P.

2015-01-01

High intensity interval training (HIIT) has become an increasingly popular form of exercise due to its potentially large effects on exercise capacity and small time requirement. This study compared the effects of two HIIT protocols vs steady-state training on aerobic and anaerobic capacity following 8-weeks of training. Fifty-five untrained college-aged subjects were randomly assigned to three training groups (3x weekly). Steady-state (n = 19) exercised (cycle ergometer) 20 minutes at 90% of ventilatory threshold (VT). Tabata (n = 21) completed eight intervals of 20s at 170% VO2max/10s rest. Meyer (n = 15) completed 13 sets of 30s (20 min) @ 100% PVO2 max/ 60s recovery, average PO = 90% VT. Each subject did 24 training sessions during 8 weeks. Results: There were significant (p < 0.05) increases in VO2max (+19, +18 and +18%) and PPO (+17, +24 and +14%) for each training group, as well as significant increases in peak (+8, + 9 and +5%) & mean (+4, +7 and +6%) power during Wingate testing, but no significant differences between groups. Measures of the enjoyment of the training program indicated that the Tabata protocol was significantly less enjoyable (p < 0.05) than the steady state and Meyer protocols, and that the enjoyment of all protocols declined (p < 0.05) across the duration of the study. The results suggest that although HIIT protocols are time efficient, they are not superior to conventional exercise training in sedentary young adults. Key points Steady state training equivalent to HIIT in untrained students Mild interval training presents very similar physiologic challenge compared to steady state training HIIT (particularly very high intensity variants were less enjoyable than steady state or mild interval training Enjoyment of training decreases across the course of an 8 week experimental training program PMID:26664271

The Effects of High Intensity Interval Training vs Steady State Training on Aerobic and Anaerobic Capacity.

PubMed

Foster, Carl; Farland, Courtney V; Guidotti, Flavia; Harbin, Michelle; Roberts, Brianna; Schuette, Jeff; Tuuri, Andrew; Doberstein, Scott T; Porcari, John P

2015-12-01

High intensity interval training (HIIT) has become an increasingly popular form of exercise due to its potentially large effects on exercise capacity and small time requirement. This study compared the effects of two HIIT protocols vs steady-state training on aerobic and anaerobic capacity following 8-weeks of training. Fifty-five untrained college-aged subjects were randomly assigned to three training groups (3x weekly). Steady-state (n = 19) exercised (cycle ergometer) 20 minutes at 90% of ventilatory threshold (VT). Tabata (n = 21) completed eight intervals of 20s at 170% VO2max/10s rest. Meyer (n = 15) completed 13 sets of 30s (20 min) @ 100% PVO2 max/ 60s recovery, average PO = 90% VT. Each subject did 24 training sessions during 8 weeks. There were significant (p < 0.05) increases in VO2max (+19, +18 and +18%) and PPO (+17, +24 and +14%) for each training group, as well as significant increases in peak (+8, + 9 and +5%) & mean (+4, +7 and +6%) power during Wingate testing, but no significant differences between groups. Measures of the enjoyment of the training program indicated that the Tabata protocol was significantly less enjoyable (p < 0.05) than the steady state and Meyer protocols, and that the enjoyment of all protocols declined (p < 0.05) across the duration of the study. The results suggest that although HIIT protocols are time efficient, they are not superior to conventional exercise training in sedentary young adults. Key pointsSteady state training equivalent to HIIT in untrained studentsMild interval training presents very similar physiologic challenge compared to steady state trainingHIIT (particularly very high intensity variants were less enjoyable than steady state or mild interval trainingEnjoyment of training decreases across the course of an 8 week experimental training program.

An Operational Definition of the Steady State in Enzyme Kinetics.

ERIC Educational Resources Information Center

Barnsley, E. A.

1990-01-01

The Briggs-Haldane assumption is used as the basis for the development of a kinetic model for enzyme catalysis. An alternative definition of the steady state and examples of realistic mechanisms are provided. (KR)

Vibration testing and analysis using holography

NASA Technical Reports Server (NTRS)

1971-01-01

Time average holography is useful in recording steady state vibrational mode patterns. Phase relationships under steady state conditions are measured with real time holography and special phase shifting techniques. Data from Michelson interferometer verify vibration amplitudes from holographic data.

Limiting Forces on Transit Trucks in Steady-State Curving

DOT National Transportation Integrated Search

1981-05-01

This study develops conservative bounds on wheel/rail forces and flange forces for several types of rigid and flexible trucks in steady-state curving conditions. The approximate analysis presented provides closed-form relations for estimating forces,...

Bifurcations in the theory of current transfer to cathodes of DC discharges and observations of transitions between different modes

NASA Astrophysics Data System (ADS)

Bieniek, M. S.; Santos, D. F. N.; Almeida, P. G. C.; Benilov, M. S.

2018-04-01

General scenarios of transitions between different spot patterns on electrodes of DC gas discharges and their relation to bifurcations of steady-state solutions are analyzed. In the case of cathodes of arc discharges, it is shown that any transition between different modes of current transfer is related to a bifurcation of steady-state solutions. In particular, transitions between diffuse and spot modes on axially symmetric cathodes, frequently observed in the experiment, represent an indication of the presence of pitchfork or fold bifurcations of steady-state solutions. Experimental observations of transitions on cathodes of DC glow microdischarges are analyzed and those potentially related to bifurcations of steady-state solutions are identified. The relevant bifurcations are investigated numerically and the computed patterns are found to conform to those observed in the course of the corresponding transitions in the experiment.

The effect of solute additions on the steady-state creep behavior of dispersion-strengthened aluminum.

NASA Technical Reports Server (NTRS)

Reynolds, G. H.; Lenel, F. V.; Ansell, G. S.

1971-01-01

The effect of solute additions on the steady-state creep behavior of coarse-grained dispersion-strengthened aluminum alloys was studied. Recrystallized dispersion-strengthened solid solutions were found to have stress and temperature sensitivities quite unlike those observed in single-phase solid solutions having the same composition and grain size. The addition of magnesium or copper to the matrix of a recrystallized dispersion-strengthened aluminum causes a decrease in the steady-state creep rate which is much smaller than that caused by similar amounts of solute in single-phase solid solutions. All alloys exhibited essentially a 4.0 power stress exponent in agreement with the model of Ansell and Weertman. The activation energy for steady-state creep in dispersion-strengthened Al-Mg alloys, as well as the stress dependence, was in agreement with the physical model of dislocation climb over the dispersed particles.

Steady-state performance analysis of fiber-optic ring resonator

NASA Astrophysics Data System (ADS)

Seraji, Faramarz E.

2009-01-01

This paper presents a full steady-state analysis of a fiber-optic ring resonator (FORR). Although in the literature the steady-state response of the FORR has been described, a detailed description of the same is not available. As an understanding of the different steady-state characteristics of the FORR is required to appreciate its characteristic response, in this paper, the expressions for the output and loop intensities, phase angles of the fields, conditions for resonance, output and loop intensities at resonance and off-resonance, finesse, and group delay of the FORR are given for different ideal and practical operating conditions of the resonator. Graphical plots of all the above characteristics are given, by highlighting the important results. The information presented in this paper will be helpful in explaining and understanding the pulse response of the resonator used in different applications of FORR.

Poissonian steady states: from stationary densities to stationary intensities.

PubMed

Eliazar, Iddo

2012-10-01

Markov dynamics are the most elemental and omnipresent form of stochastic dynamics in the sciences, with applications ranging from physics to chemistry, from biology to evolution, and from economics to finance. Markov dynamics can be either stationary or nonstationary. Stationary Markov dynamics represent statistical steady states and are quantified by stationary densities. In this paper, we generalize the notion of steady state to the case of general Markov dynamics. Considering an ensemble of independent motions governed by common Markov dynamics, we establish that the entire ensemble attains Poissonian steady states which are quantified by stationary Poissonian intensities and which hold valid also in the case of nonstationary Markov dynamics. The methodology is applied to a host of Markov dynamics, including Brownian motion, birth-death processes, random walks, geometric random walks, renewal processes, growth-collapse dynamics, decay-surge dynamics, Ito diffusions, and Langevin dynamics.

Reduction of Simulation Times for High-Q Structures using the Resonance Equation

DOE PAGES

Hall, Thomas Wesley; Bandaru, Prabhakar R.; Rees, Daniel Earl

2015-11-17

Simulating steady state performance of high quality factor (Q) resonant RF structures is computationally difficult for structures with sizes on the order of more than a few wavelengths because of the long times (on the order of ~ 0.1 ms) required to achieve steady state in comparison with maximum time step that can be used in the simulation (typically, on the order of ~ 1 ps). This paper presents analytical and computational approaches that can be used to accelerate the simulation of the steady state performance of such structures. The basis of the proposed approach is the utilization of amore » larger amplitude signal at the beginning to achieve steady state earlier relative to the nominal input signal. Finally, the methodology for finding the necessary input signal is then discussed in detail, and the validity of the approach is evaluated.« less

Steady-state solutions of a diffusive energy-balance climate model and their stability

NASA Technical Reports Server (NTRS)

Ghil, M.

1975-01-01

A diffusive energy-balance climate model, governed by a nonlinear parabolic partial differential equation, was studied. Three positive steady-state solutions of this equation are found; they correspond to three possible climates of our planet: an interglacial (nearly identical to the present climate), a glacial, and a completely ice-covered earth. Models similar to the main one are considered, and the number of their steady states was determined. All the models have albedo continuously varying with latitude and temperature, and entirely diffusive horizontal heat transfer. The stability under small perturbations of the main model's climates was investigated. A stability criterion is derived, and its application shows that the present climate and the deep freeze are stable, whereas the model's glacial is unstable. The dependence was examined of the number of steady states and of their stability on the average solar radiation.

SUPRATHERMAL SOLAR WIND ELECTRONS AND LANGMUIR TURBULENCE

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

Kim, Sunjung; Yoon, Peter H.; Choe, G. S.

2016-09-01

The steady-state model recently put forth for the solar wind electron velocity distribution function during quiet time conditions, was originally composed of three population electrons (core, halo, and superhalo) with the core remaining nonresonant with any plasma waves while the halo and superhalo separately maintained steady-state resonance with whistler- and Langmuir-frequency range fluctuations, respectively. However, a recent paper demonstrates that whistler-range fluctuations in fact have no significant contribution. The present paper represents a consummation of the model in that a self-consistent model of the suprathermal electron population, which encompasses both the halo and the superhalo, is constructed solely on themore » basis of the Langmuir fluctuation spectrum. Numerical solutions to steady-state particle and wave kinetic equations are obtained on the basis of an initial trial electron distribution and Langmuir wave spectrum. Such a finding offers a self-consistent explanation for the observed steady-state electron distribution in the solar wind.« less

Poissonian steady states: From stationary densities to stationary intensities

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2012-10-01

Markov dynamics are the most elemental and omnipresent form of stochastic dynamics in the sciences, with applications ranging from physics to chemistry, from biology to evolution, and from economics to finance. Markov dynamics can be either stationary or nonstationary. Stationary Markov dynamics represent statistical steady states and are quantified by stationary densities. In this paper, we generalize the notion of steady state to the case of general Markov dynamics. Considering an ensemble of independent motions governed by common Markov dynamics, we establish that the entire ensemble attains Poissonian steady states which are quantified by stationary Poissonian intensities and which hold valid also in the case of nonstationary Markov dynamics. The methodology is applied to a host of Markov dynamics, including Brownian motion, birth-death processes, random walks, geometric random walks, renewal processes, growth-collapse dynamics, decay-surge dynamics, Ito diffusions, and Langevin dynamics.

The Effect of Impeller Type on Floc Size and Structure during Shear-Induced Flocculation

PubMed

Spicer; Keller; Pratsinis

1996-12-01

The effect of impeller type and shear rate on the evolution of floc size and structure during shear-induced flocculation of polystyrene particles with aluminum sulfate is investigated by image analysis. One radial flow (six-blade Rushton turbine) and two axial flow (three-blade fluid foil, four-blade 45° pitch) impeller configurations are examined. The steady state average floc size is shown to depend on the frequency of recirculation to the impeller zone and its characteristic velocity gradient. The concepts of fractal geometry are used to characterize the floc structure. For all impellers, the two-dimensional floc fractal dimension, Dpf, increases during floc growth, indicating formation of more open structures. Later on, Dpf levels off at a steady state value as breakage becomes significant and the floc size distribution approaches steady state. The shear rate does not affect the steady state Dpf of the flocs within experimental uncertainty.

Topological properties of a self-assembled electrical network via ab initio calculation

NASA Astrophysics Data System (ADS)

Stephenson, C.; Lyon, D.; Hübler, A.

2017-02-01

Interacting electrical conductors self-assemble to form tree like networks in the presence of applied voltages or currents. Experiments have shown that the degree distribution of the steady state networks are identical over a wide range of network sizes. In this work we develop a new model of the self-assembly process starting from the underlying physical interaction between conductors. In agreement with experimental results we find that for steady state networks, our model predicts that the fraction of endpoints is a constant of 0.252, and the fraction of branch points is 0.237. We find that our model predicts that these scaling properties also hold for the network during the approach to the steady state as well. In addition, we also reproduce the experimental distribution of nodes with a given Strahler number for all steady state networks studied.

The Steady-State Transport of Oxygen through Hemoglobin Solutions

PubMed Central

Keller, K. H.; Friedlander, S. K.

1966-01-01

The steady-state transport of oxygen through hemoglobin solutions was studied to identify the mechanism of the diffusion augmentation observed at low oxygen tensions. A novel technique employing a platinum-silver oxygen electrode was developed to measure the effective diffusion coefficient of oxygen in steady-state transport. The measurements were made over a wider range of hemoglobin and oxygen concentrations than previously reported. Values of the Brownian motion diffusion coefficient of oxygen in hemoglobin solution were obtained as well as measurements of facilitated transport at low oxygen tensions. Transport rates up to ten times greater than ordinary diffusion rates were found. Predictions of oxygen flux were made assuming that the oxyhemoglobin transport coefficient was equal to the Brownian motion diffusivity which was measured in a separate set of experiments. The close correlation between prediction and experiment indicates that the diffusion of oxyhemoglobin is the mechanism by which steady-state oxygen transport is facilitated. PMID:5943608

Realizing steady-state tokamak operation for fusion energy

NASA Astrophysics Data System (ADS)

Luce, T. C.

2011-03-01

Continuous operation of a tokamak for fusion energy has clear engineering advantages but requires conditions beyond those sufficient for a burning plasma. The fusion reactions and external sources must support both the pressure and the current equilibrium without inductive current drive, leading to demands on stability, confinement, current drive, and plasma-wall interactions that exceed those for pulsed tokamaks. These conditions have been met individually, and significant progress has been made in the past decade to realize scenarios where the required conditions are obtained simultaneously. Tokamaks are operated routinely without disruptions near pressure limits, as needed for steady-state operation. Fully noninductive sustainment with more than half of the current from intrinsic currents has been obtained for a resistive time with normalized pressure and confinement approaching those needed for steady-state conditions. One remaining challenge is handling the heat and particle fluxes expected in a steady-state tokamak without compromising the core plasma performance.

Pre-Steady-State Kinetic Analysis of Single-Nucleotide Incorporation by DNA Polymerases

PubMed Central

Su, Yan; Guengerich, F. Peter

2016-01-01

Pre-steady-state kinetic analysis is a powerful and widely used method to obtain multiple kinetic parameters. This protocol provides a step-by-step procedure for pre-steady-state kinetic analysis of single-nucleotide incorporation by a DNA polymerase. It describes the experimental details of DNA substrate annealing, reaction mixture preparation, handling of the RQF-3 rapid quench-flow instrument, denaturing polyacrylamide DNA gel preparation, electrophoresis, quantitation, and data analysis. The core and unique part of this protocol is the rationale for preparation of the reaction mixture (the ratio of the polymerase to the DNA substrate) and methods for conducting pre-steady-state assays on an RQF-3 rapid quench-flow instrument, as well as data interpretation after analysis. In addition, the methods for the DNA substrate annealing and DNA polyacrylamide gel preparation, electrophoresis, quantitation and analysis are suitable for use in other studies. PMID:27248785