Inelastic X-ray scattering studies of phonons propagating along the axial direction of a DNA molecule having different counter-ion atmosphere

Shear-aligned 40 wt% calf-thymus Na-DNA molecules in aqueous solutions are prepared in their liquid crystalline phases and studied by high resolution inelastic X-ray scattering (IXS). Measured IXS spectra are analyzed with the generalized three effective eignmode (GTEE) theory. The phonon dispersion relations along the axial direction of DNA molecules with different MgCl₂ concentrations are constructed and compared. It is found that the sound speed along the axial direction of DNA molecules varies only slightly, but the phonon dampening is greatly affected with the increase amount of MgCl₂ concentration. Using the GTEE theory, we are able to extract the longitudinal viscosity in the hydrodynamic limit from the Q-dependence of a fitted parameter. We make a comprehensive review of the GTEE theory and discuss detailed analyses of IXS spectra taking into account finite energy resolution of the instrument.     

Protons colliding with crystalline ice: proton reflection and collision induced water desorption at low incidence energies

We present results of classical trajectory (CT) calculations on the sticking of protons to the basal plane (0001) face of crystalline ice, for normal incidence at a surface temperature (Ts) of 80 K. The calculations were performed for moderately low incidence energies (Ei) ranging from 0.05 to 4.0 eV. Surprisingly, significant reflection is predicted at low values of Ei (< or = 0.2 eV) due to repulsive electrostatic interactions between the incident proton and the surface water molecules with one of their H-atoms pointing upward toward the gas phase. The sticking probability increases with Ei and converges to unity for Ei > or = 0.8 eV. In the case of sticking, the proton is trapped in the ice forming a Zundel complex (H5O2+), with an average binding energy of 9.9 eV with a standard deviation of 0.5 eV, independent of the value of Ei. In nearly all sticking trajectories, the proton is implanted into the ice surface, with a penetration depth that increases with Ei. The strong interaction with the neighboring water molecules leads to a local rupture of the hydrogen bonding network, resulting in collision induced desorption of water (puffing), a process that occurs with significant probability even at the lowest Ei considered. The probability of water desorption increases with Ei. In nearly all trajectories in which water desorption occurs, a single three-coordinated water molecule is desorbed from the topmost monolayer.     

Entangled-photon imaging of a pure phase object

We demonstrate experimentally and theoretically that a coherent image of a pure phase object [implemented by a microelectromechanical system (MEMS) micromirror array] may be obtained by use of a spatially incoherent illumination beam. This is accomplished by employing a two-beam source of entangled photons generated by spontaneous parametric down-conversion. One of the beams probes the phase object while the other is scanned. Though each of the beams is, in and of itself, spatially incoherent, the pair of beams exhibits higher-order interbeam coherence.     

Gnapholide: a new guaiac-dimer from Pulicaria gnaphalodes (Asteraceae)

The ethyl acetate soluble part of the chloroform extract of Pulicaria gnaphalodes belonging to the family Asteraceae afforded a new sesquiterpene-dimer of guaiane class named as gnapholide and anabsinthin of the same skeleton. The structures of both the compounds were elucidated with the aid of spectroscopic techniques including 2D NMR.     

Highly sensitive determination of atropine using cobalt oxide nanostructures: Influence of functional groups on the signal sensitivity

This study describes sensitive determination of atropine using glassy carbon electrodes (GCE) modified with Co₃O₄ nanostructures. The as-synthesised nanostructures were grown using cysteine (CYS), glutathione (GSH) and histidine (HYS) as effective templates under hydrothermal action. The obtained morphologies revealed interesting structural features, including both cavity-based and flower-shaped structures. The as-synthesised morphologies were noted to actively participate in electro-catalysis of atropine (AT) drug where GSH-assisted structures exhibited the best signal response in terms of current density and over-potential value. The study also discusses the influence of functional groups on the signal sensitivity of atropine electro-oxidation. The functionalisation was carried with the amino acids originally used as effective templates for the growth of Co₃O₄ nanostructures. The highest increment was obtained when GSH was used as the surface functionalising agent. The GSH-functionalised Co₃O₄-modified electrode was utilised for the electro-chemical sensing of AT in a concentration range of 0.01–0.46 μM. The developed sensor exhibited excellent working linearity (R² = 0.999) and signal sensitivity up to 0.001 μM of AT. The noted high sensitivity of the sensor is associated with the synergy of superb surface architectures and favourable interaction facilitating the electron transfer kinetics for the electro-catalytic oxidation of AT. Significantly, the developed sensor demonstrated excellent working capability when used for AT detection in human urine samples with strong anti-interference potential against common co-existing species, such as glucose, fructose, cysteine, uric acid, dopamine and ascorbic acid.     

The Ginzburg–Landau Functional with Vanishing Magnetic Field

Archive for Rational Mechanics and Analysis - We study the infimum of the Ginzburg–Landau functional in a two dimensional simply connected domain and with an external magnetic field allowed...     

Cenosphere formation from heavy fuel oil: a numerical analysis accounting for the balance between porous shells and internal pressure

Heavy fuel oil (HFO) as a fuel in industrial and power generation plants ensures the availability of energy at economy. Coke and cenosphere emissions from HFO combustion need to be controlled by particulate control equipment such as electrostatic precipitators, and collection effectiveness is impacted by the properties of these particulates. The cenosphere formation is a function of HFO composition, which varies depending on the source of the HFO. Numerical modelling of the cenosphere formation mechanism presented in this paper is an economical method of characterising cenosphere formation potential for HFO in comparison to experimental analysis of individual HFO samples, leading to better control and collection. In the present work, a novel numerical model is developed for understanding the global cenosphere formation mechanism. The critical diameter of the cenosphere is modelled based on the balance between two pressures developed in an HFO droplet. First is the pressure (Pr_pf) developed at the interface of the liquid surface and the inner surface of the accumulated coke due to the flow restriction of volatile components from the interior of the droplet. Second is the pressure due to the outer shell strength (Pr_C) gained from van der Walls energy of the coke layers and surface energy. In this present study it is considered that when Pr_C ≥ Pr_pf the outer shell starts to harden. The internal motion in the shell layer ceases and the outer diameter (D_SOut) of the shell is then fixed. The entire process of cenosphere formation in this study is analysed in three phases: regression, shell formation and hardening, and post shell hardening. Variations in pressures during shell formation are analysed. Shell (cenosphere) dimensions are evaluated at the completion of droplet evaporation. The rate of fuel evaporation, rate of coke formation and coke accumulation are analysed. The model predicts shell outer diameters of 650, 860 and 1040 µm, and inner diameters are 360, 410 and 430 µm respectively, for 700, 900 and 1100 µm HFO droplets. The present numerical model is validated with experimental results available from the literature. Total variation between computational and experimental results is in the range of 3–7%.     

Surface Activity of Novel Polymerizable Anionic Polyoxyethylene 4-Nonyl-2-Prpylene-Phenyl Ether Ammonium Sulfate Succinate Surfactants

Novel polymerizable surface-active monomers were synthesized by successive treatment of polyoxyethylene 4-nonyl-2-prpylene-phenyl ether ammonium sulfate with maleic anhydride in the presence of hydroquinone at temperature of 180°C. The molecular structures of the polymerizable surfactants were confirmed by ¹H and ¹³C NMR spectroscopy. The surface tension isotherms on the air-water solution interface were obtained. The critical micelle concentrations (cmc) as well as the surface tension at the cmc were determined for these substances. The micellization and adsorption of the prepared anionic surfactants have been investigated by surface tension, and cloud point measurements. Surface parameters such as surface excess concentration (Γ _max), the area per molecule at interface (A _min) and the effectiveness of surface tension reduction (π_CMC) were determined from the adsorption isotherms of the prepared surfactants.      

Surface and Thermodynamic Properties of Nonionic Surfactants Based on Rosin-Maleic Anhydride and Acrylic Acid Adducts

Ester-adduct derivatives of rosin were synthesized by reacting rosin maleic anhydride (RMA) or rosin acrylic acid (RAA) adducts with polyethylene glycol 600 (PEG600), 1000 (PEG1000) or 2000 (PEG2000) and at elevated temperature. These derivatives were evaluated for acid number, FTIR spectroscopy, molecular weight (Mw) and polydispersity. The surface properties of the prepared surfactants were determined by measuring the surface tension at different temperatures. The surface tension, critical micelle concentration, and surface activities were determined at different temperatures. Surface parameters such as surface excess concentration (Γmax), the area per molecule at interface (Amin) and the effectiveness of surface tension reduction (πCMC) were determined from the adsorption isotherms of the prepared surfactants. Some thermodynamic data for the adsorption process were calculated and are discussed.