119 research outputs found

    Laser spectroscopy of aromatic molecules with optical cycling centers: strontium (I) phenoxides

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    We report the production and spectroscopic characterization of strontium (I) phenoxide (SrOC6H5\mathrm{SrOC}_6\mathrm{H}_5, or SrOPh) and variants featuring electron-withdrawing groups designed to suppress vibrational excitation during spontaneous emission from the electronically excited state. Optical cycling closure of these species, which is the decoupling of vibrational state changes from spontaneous optical decay, is found by dispersed laser-induced fluorescence spectroscopy to be high, in accordance with theoretical predictions. A high-resolution, rotationally-resolved laser excitation spectrum is recorded for SrOPh, allowing the estimation of spectroscopic constants and identification of candidate optical cycling transitions for future work. The results confirm the promise of strontium phenoxides for laser cooling and quantum state detection at the single-molecule level.Comment: Erratum for a correction of an incorrect grant number for the NSF Center for Chemical Innovation, Phase I. The correct number should be CHE-222145

    Mitochondrial oxygen tension in critically ill patients receiving red blood cell transfusions:a multicenter observational cohort study

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    Purpose: Currently, there is no marker of efficacy of red blood cell (RBC) transfusion. This study describes the impact of RBC transfusion on mitochondrial oxygen tension (mitoPO2) and mitochondrial oxygen consumption (mitoVO2) in critically ill patients with anemia. Methods: Critically ill patients with a hemoglobin concentration &lt; 10 g/dL, for whom a single RBC unit had been ordered, were included. MitoPO2 was measured with the COMET device immediately before RBC transfusion, 0.5 h, 1 h, 3 h, and 24 h after RBC transfusion. MitoVO2 was calculated from dynamic mitoPO2 measurements during cessation of local oxygen supply. Results: Sixty-three patients participated, median age 64.0 (interquartile range (IQR) 52.3–72.8) years, median hemoglobin concentration before transfusion 7.4 (IQR 7.1–7.7) g/dL. Median mitoPO2 values were 55.0 (IQR 49.6–63.0) mmHg before RBC transfusion, 51.0 (IQR 41.5–61.2) directly after and 67.3 (IQR 41.6–83.7) at 24 h after RBC transfusion. Median mitoVO2 values were 3.3 (IQR 2.1–5.9) mmHg/s before RBC transfusion, 3.7 (IQR 2.0–5.1) mmHg/s directly after, and 3.1 (IQR 2.5–4.8) mmHg/s 24 h after RBC transfusion. In the higher Hb concentration group (&gt; 7 g/dL), we saw a dissociation of the effect of RBC transfusion on mitoPO2 versus on mitoVO2 values. MitoPO2 and mitoVO2 values were not associated with commonly used parameters of tissue perfusion and oxygenation. Conclusion: RBC transfusion did not alter mitoPO2 and mitoVO2 in critically ill patients with anemia. MitoPO2 and mitoVO2 values were not notably associated with Hb concentrations, parameters of severity of illness and markers of tissue perfusion or oxygenation. Given the high baseline value, it cannot be excluded nor confirmed whether RBC can improve low mitoPO2.</p

    Traffic Equations and Granular Convection

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    We investigate both numerically and analytically the convective instability of granular materials by two dimensional traffic equations. In the absence of vibrations the traffic equations assume two distinctive classes of fixed bed solutions with either a spatially uniform or nonuniform density profile. The former one exists only when the function V(\rho) that monitors the relaxation of grains assumes a cut off at the closed packed density, \rho_c, with V(\rho_c)=0, while the latter one exists for any form of V. Since there is little difference between the uniform and nonuniform solution deep inside the bed, the convective instability of the bulk may be studied by focusing on the stability of the uniform solution. In the presence of vibrations, we find that the uniform solution bifurcates into a bouncing solution, which then undergoes a supercritical bifurcation to the convective instability. We determine the onset of convection as a function of control parameters and confirm this picture by solving the traffic equations numerically, which reveals bouncing solutions, two convective rolls, and four convective rolls. Further, convective patterns change as the aspect ratio changes: in a vertically long container, the rolls move toward the surface, and in a horizontally long container, the rolls move toward the walls. We compare these results with those reported previously with a different continuum model by Hayakawa, Yue and Hong[Phys. Rev. Lett. 75,2328, 1995]. Finally, we also present a derivation of the traffic equations from Enskoq equation.Comment: 34 pages, 10 figure

    Motional effects on the efficiency of excitation transfer

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    Energy transfer plays a vital role in many natural and technological processes. In this work, we study the effects of mechanical motion on the excitation transfer through a chain of interacting molecules with application to biological scenarios of transfer processes. Our investigation demonstrates that, for various types of mechanical oscillations, the transfer efficiency is significantly enhanced over that of comparable static configurations. This enhancement is a genuine quantum signature, and requires the collaborative interplay between the quantum-coherent evolution of the excitation and the mechanical motion of the molecules; it has no analogue in the classical incoherent energy transfer. This effect may not only occur naturally, but it could be exploited in artificially designed systems to optimize transport processes. As an application, we discuss a simple and hence robust control technique.Comment: 25 pages, 11 figures; completely revised; version accepted for publicatio

    Velocity and density profiles of granular flow in channels using lattice gas automaton

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    We have performed two-dimensional lattice-gas-automaton simulations of granular flow between two parallel planes. We find that the velocity profiles have non-parabolic distributions while simultaneously the density profiles are non-uniform. Under non-slip boundary conditions, deviation of velocity profiles from the parabolic form of newtonian fluids is found to be characterized solely by ratio of maximal velocity at the center to the average velocity, though the ratio depends on the model parameters in a complex manner. We also find that the maximal velocity (umaxu_{max}) at the center is a linear function of the driving force (g) as umax=αgδu_{max} = \alpha g - \delta with non-zero δ\delta in contrast with newtonian fluids. Regarding density profiles, we observe that densities near the boundaries are higher than those in the center. The width of higher densities (above the average density) relative to the channel width is a decreasing function of a variable which scales with the driving force (g), energy dissipation parameter (ϵ\epsilon) and the width of the system (L) as gμLν/ϵg^{\mu} L^{\nu}/\epsilon with exponents μ=1.4±0.1\mu = 1.4 \pm 0.1 and ν=0.5±0.1\nu = 0.5 \pm 0.1. A phenomenological theory based on a scaling argument is presented to interpret these findings.Comment: Latex, 15 figures, to appear in PR

    Density waves and 1/f1/f density fluctuations in granular flow

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    We simulate the granular flow in a narrow pipe with a lattice-gas automaton model. We find that the density in the system is characterized by two features. One is that spontaneous density waves propagate through the system with well-defined shapes and velocities. The other is that density waves are so distributed to make the power spectra of density fluctuations as 1/fα1/f^{\alpha} noise. Three important parameters make these features observable and they are energy dissipation, average density and the rougness of the pipe walls.Comment: Latex (with ps files appended

    Non-Markovian stochastic description of quantum transport in photosynthetic systems

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    We analyze several aspects of the transport dynamics in the LH1-RC core of purple bacteria, which consists basically in a ring of antenna molecules that transport the energy into a target molecule, the reaction center, placed in the center of the ring. We show that the periodicity of the system plays an important role to explain the relevance of the initial state in the transport efficiency. This picture is modified, and the transport enhanced for any initial state, when considering that molecules have different energies, and when including their interaction with the environment. We study this last situation by using stochastic Schr{\"o}dinger equations, both for Markovian and non-Markovian type of interactions.Comment: 21 pages, 5 figure

    Static Friction Phenomena in Granular Materials: Coulomb Law vs. Particle Geometry

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    The static as well as the dynamic behaviour of granular material are determined by dynamic {\it and} static friction. There are well known methods to include static friction in molecular dynamics simulations using scarcely understood forces. We propose an Ansatz based on the geometrical shape of nonspherical particles which does not involve an explicit expression for static friction. It is shown that the simulations based on this model are close to experimental results.Comment: 11 pages, Revtex, HLRZ-33/9

    Spatial interactions in agent-based modeling

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    Agent Based Modeling (ABM) has become a widespread approach to model complex interactions. In this chapter after briefly summarizing some features of ABM the different approaches in modeling spatial interactions are discussed. It is stressed that agents can interact either indirectly through a shared environment and/or directly with each other. In such an approach, higher-order variables such as commodity prices, population dynamics or even institutions, are not exogenously specified but instead are seen as the results of interactions. It is highlighted in the chapter that the understanding of patterns emerging from such spatial interaction between agents is a key problem as much as their description through analytical or simulation means. The chapter reviews different approaches for modeling agents' behavior, taking into account either explicit spatial (lattice based) structures or networks. Some emphasis is placed on recent ABM as applied to the description of the dynamics of the geographical distribution of economic activities, - out of equilibrium. The Eurace@Unibi Model, an agent-based macroeconomic model with spatial structure, is used to illustrate the potential of such an approach for spatial policy analysis.Comment: 26 pages, 5 figures, 105 references; a chapter prepared for the book "Complexity and Geographical Economics - Topics and Tools", P. Commendatore, S.S. Kayam and I. Kubin, Eds. (Springer, in press, 2014
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