957 research outputs found

    On a Fluid Outflow from a Bottle Turned Upside-Down

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    An incompressible viscous as well as nonviscous fluid outflow from an axially symmetric bottle turned upside-down is considered. This problem relates the gravity acceleration and air bubbles inflow into the bottle and in the mathematical sense presents a very complicated task. The simplified setting of problem based on a one-dimensional approximation of the fluid flow is proposed and results of numerical experiments are discussed

    Tautomerism of 4,4′-dihydroxy-1,1′-naphthaldazine studied by experimental and theoretical methods

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    BACKGROUND: The title compound belongs to the class of bis-azomethine pigments. On the basis of comparative studies on similar structures, insight into the complex excited state dynamics of such compounds has been gained. It has been shown, for example, that only compounds that possess hydroxyl groups are fluorescent, and that the possibility for cis-trans isomerisation and/or bending motions of the central bis-azomethine fragment allows for different non-radiative decay pathways. RESULTS: The compound, 4,4'-dihydroxy-1,1'-naphthaldazine (1) was synthesized and characterized by means of spectroscopic and quantum chemical methods. The tautomerism of 1 was studied in details by steady state UV-Vis spectroscopy and time resolved flash photolysis. The composite shape of the absorption bands was computationally resolved into individual subbands. Thus, the molar fraction of each component and the corresponding tautomeric constants were estimated from the temperature dependent spectra in ethanol. CONCLUSIONS: According to the spectroscopic data the prevalent tautomer is the diol form, which is in agreement with the theoretical (HF and DFT) predictions. The experimental data show, however, that all three tautomers coexist in solution even at room temperature. Relevant theoretical results were obtained after taking into account the solvent effect by the so-called supermolecule-PCM approach. The TD-DFT B3LYP/6-31 G** calculated excitation energies confirm the assignment of the individual bands obtained from the derivative spectroscopy

    Interface-resolved direct numerical simulations of sediment transport in a turbulent oscillatory boundary layer

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    The flow within an oscillatory boundary layer, which approximates the flow generated by propagating sea waves of small amplitude close to the bottom, is simulated numerically by integrating the Navier-Stokes and continuity equations. The bottom is made up of spherical particles, free to move, which mimic sediment grains. The approach allows one to fully resolve the flow around the particles and to evaluate the forces and torques that the fluid exerts on their surface. Then, the dynamics of sediments is explicitly computed by means of the Newton-Euler equations. For the smallest value of the flow Reynolds number presently simulated, the flow regime turns out to fall in the intermittently turbulent regime such that turbulence appears when the free-stream velocity is close to its largest value but the flow recovers a laminar-like behaviour during the remaining phases of the cycle. For the largest value of the Reynolds number, turbulence is significant during almost the whole flow cycle. The evaluation of the sediment transport rate allows one to estimate the reliability of the empirical predictors commonly used to estimate the amount of sediments transported by sea waves. For large values of the Shields parameter, the sediment flow rate during the accelerating phases does not differ from that observed during the decelerating phases. However, for relatively small values of the Shields parameter, the amount of moving particles depends not only on the bottom shear stress but also on flow acceleration. Moreover, the numerical results provide information on the role that turbulent eddies have on sediment dynamics

    Estimates for the Cauchy matrix of perturbed linear impulsive equation

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    Estimates for the Cauchy matrix of a perturbed linear impulsive equation are obtained for given estimates for the Cauchy matrix of the corresponding unperturbed linear impulsive equation

    A homogeneous method for investigation of methylation-dependent protein–protein interactions in epigenetics

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    Methylation of lysine residues on the tails of histone proteins is a major determinant of the transcription state of associated DNA coding regions. The interplay among methylation states and other histone modifications to direct transcriptional outcome is referred to as the histone code. In addition to histone methyltransferases and demethylases which function to modify the methylation state of lysine sidechains, other proteins recognize specific histone methylation marks essentially serving as code readers. While these interactions are highly specific with respect to site and methylation state of particular lysine residues, they are generally weak and therefore difficult to monitor by traditional assay techniques. Herein, we present the design and implementation of a homogeneous, miniaturizable, and sensitive assay for histone methylation-dependent interactions. We use AlphaScreen, a chemiluminescence-based technique, to monitor the interactions of chromodomains (MPP8, HP1β and CHD1), tudor domains (JMJD2A) and plant homeodomains (RAG2) with their cognate trimethyllysine histone partners. The utility of the method was demonstrated by profiling the binding specificities of chromo- and tudor domains toward several histone marks. The simplicity of design and the sensitive and robust nature of this assay should make it applicable to a range of epigenetic studies, including the search for novel inhibitors of methylation-dependent interactions

    An investigation of ozone and planetary boundary layer dynamics over the complex topography of Grenoble combining measurements and modeling

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    International audienceThis paper concerns an evaluation of ozone (O3) and planetary boundary layer (PBL) dynamics over the complex topography of the Grenoble region through a combination of measurements and mesoscale model (METPHOMOD) predictions for three days, during July 1999. The measurements of O3 and PBL structure were obtained with a Differential Absorption Lidar (DIAL) system, situated 20 km south of Grenoble at Vif (310 m a.s.l.). The combined lidar observations and model calculations are in good agreement with atmospheric measurements obtained with an instrumented aircraft (METAIR). Ozone fluxes were calculated using lidar measurements of ozone vertical profiles concentrations and the horizontal wind speeds measured with a Radar Doppler wind profiler (DEGREANE). The ozone flux patterns indicate that the diurnal cycle of ozone production is controlled by local thermal winds. The convective PBL maximum height was some 2700 m above the land surface while the nighttime residual ozone layer was generally found between 1200 and 2200 m. Finally we evaluate the magnitude of the ozone processes at different altitudes in order to estimate the photochemical ozone production due to the primary pollutants emissions of Grenoble city and the regional network of automobile traffic

    Valorization of Oleuropein via Tunable Acid-Promoted Methanolysis

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    The acid-promoted methanolysis of oleuropein was studied using a variety of homogeneous and heterogeneous acid catalysts. Exclusive cleavage of the acetal bond between the glucoside and the monoterpene subunits or further hydrolysis of the hydroxytyrosol ester and subsequent intramolecular rearrangement were observed upon identification of the most efficient catalyst and experimental conditions. Furthermore, selected conditions were tested using oleuropein under continuous flow and using a crude mixture extracted from olive leaves under batch. Formation of (−)-methyl elenolate was also observed in this study, which is a reported precursor for the synthesis of the antihypertensive drug (−)-ajmalicine.Centro de Investigación y Desarrollo en Ciencias Aplicada
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