Localization of extended current source with finite frequencies

A phase conjugation algorithm for localizing the spatial support of an extended radiating current source from boundary measurements of the electric field over a finite set of frequencies is presented. An imaging function using a full frequency bandwidth is established and analyzed. It is subsequently adopted to the case of finite frequency measurements. Finally, the algorithm is blended with l₁$l_1$-regularization in order to deal with the artifacts associated with finite frequency data.     

Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+: Experimental and Computational Studies of their Hydricities,Interaction with CO2, and Photochemistry

We prepared two geometric isomers of [Ir(tpy)(ppy)H]⁺, previously proposed as a key intermediate in the photochemical reduction of CO₂ to CO, and characterized their notably different ground‐ and excited‐state interactions with CO₂ and their hydricities using experimental and computational methods. Only one isomer, C‐trans‐[Ir(tpy)(ppy)H]⁺, reacts with CO₂ to generate the formato complex in the ground state, consistent with its calculated hydricity. Under photocatalytic conditions in CH₃CN/TEOA, a common reactive C‐trans‐[Ir(tpy)(ppy)]⁰ species, irrespective of the starting isomer or monodentate ligand (such as hydride or Cl), reacts with CO₂ and produces CO with the same catalytic efficiency.     

On exact solutions of Stokes second problem for a Burgers�� fluid, II. The cases �� =?��2/4 and �� > ��2/4

In this study, the exact solutions of the Stokes second problem for a Burgers?? fluid are presented when the relaxation time satisfies the conditions ?? =???²/4 and ?? >???²/4. The velocity field and the associated tangential stress, when only one initial condition is necessary for velocity, are determined by means of the Laplace transform. The physical interpretation for the emerging parameters is discussed with the help of graphical illustrations. The similar solutions for the Stokes?? first problem are obtained as the limiting cases of our solutions.     

Fast folding of RNA pseudoknots initiated by laser temperature-jump

RNA pseudoknots are examples of minimal structural motifs in RNA with tertiary interactions that stabilize the structures of many ribozymes. They also play an essential role in a variety of biological functions that are modulated by their structure, stability, and dynamics. Therefore, understanding the global principles that determine the thermodynamics and folding pathways of RNA pseudoknots is an important problem in biology, both for elucidating the folding mechanisms of larger ribozymes as well as addressing issues of possible kinetic control of the biological functions of pseudoknots. We report on the folding/unfolding kinetics of a hairpin-type pseudoknot obtained with microsecond time-resolution in response to a laser temperature-jump perturbation. The kinetics are monitored using UV absorbance as well as fluorescence of extrinsically attached labels as spectroscopic probes of the transiently populated RNA conformations. We measure folding times of 1-6 ms at 37 °C, which are at least 100-fold faster than previous observations of very slow folding pseudoknots that were trapped in misfolded conformations. The measured relaxation times are remarkably similar to predictions of a computational study by Thirumalai and co-workers (Cho, S. S.; Pincus, D.L.; Thirumalai, D. Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 17349-17354). Thus, these studies provide the first observation of a fast-folding pseudoknot and present a benchmark against which computational models can be refined.     

On exact solutions for some oscillating motions of a generalized Oldroyd-B fluid

This paper deals with exact solutions for some oscillating motions of a generalized Oldroyd-B fluid. The fractional calculus approach is used in the constitutive relationship of fluid model. Analytical expressions for the velocity field and the corresponding shear stress for flows due to oscillations of an infinite flat plate as well as those induced by an oscillating pressure gradient are determined using Fourier sine and Laplace transforms. The obtained solutions are presented under integral and series forms in terms of the Mittag–Leffler functions. For α = β = 1, our solutions tend to the similar solutions for ordinary Oldroyd-B fluid. A comparison between generalized and ordinary Oldroyd-B fluids is shown by means of graphical illustrations.     

On exact solutions for some oscillating motions of a generalized Oldroyd-B fluid

This paper deals with exact solutions for some oscillating motions of a generalized Oldroyd-B fluid. The fractional calculus approach is used in the constitutive relationship of fluid model. Analytical expressions for the velocity field and the corresponding shear stress for flows due to oscillations of an infinite flat plate as well as those induced by an oscillating pressure gradient are determined using Fourier sine and Laplace transforms. The obtained solutions are presented under integral and series forms in terms of the Mittag–Leffler functions. For α = β = 1, our solutions tend to the similar solutions for ordinary Oldroyd-B fluid. A comparison between generalized and ordinary Oldroyd-B fluids is shown by means of graphical illustrations.     

Surface modification of platinum by laser-produced X-rays

Laser-induced plasma is used as an X-ray source for the growth of hillocks like nanostructures on platinum surface. To generate X-rays, plasma is produced by Nd:YAG laser, which is operated at second harmonics (λ?=?532?nm, E?=?400?mJ). Analytical grade 5?N pure Al, Cu and W are used as laser targets for X-rays production. X-rays produced from Al, Cu and W plasmas are used to irradiate three analytical grade (5?N pure) platinum substrates, respectively, under the vacuum ～10^?4 torr. XRD analysis shows considerable structural changes in the exposed platinum. The decrement in reflection intensities, increment in dislocation line density, change in d-spacing and disturbance in the periodicity of planes evidently prove these structural changes. Atomic force microscope AFM topographic analysis of the platinum exposed to X-rays emitted from Al, Cu and W targets showed that nanometer-size hillocks are produced on the platinum surface irrespective of the source. It has also been observed that due to these hillocks, the roughness of the surface has increased. Conductivity of hillocks produced from X-rays produced by Al, Cu and W targets is compared and it is shown that the hillocks produced by Al target X-rays have better conductivity compared to the hillocks produced by X-rays from Cu and W targets.     

Annealing of ion-implanted Ga0.47In0.53As

We have investigated annealing of ion-implanted GaInAs using transmission electron microscopy. We have found that the best condition for the post-implantation anneals for GalnAs is a 30 second anneal at a temperature of 700–800°C. This produces a material similar in character to the untreated GaInAs. Anneals for longer than 30 seconds produce crystal defects becoming increasingly complex with time for similar temperatures.     

Effect of ion beam irradiation on palladium (II) acetyl acetonate dispersed in polymer matrix

Composites, containing different concentrations of palladium (II) acetylacetonate in polymethyl methacrylate (PMMA) matrix were prepared by vigorous mixing. PMMA was prepared by solution polymerization technique. The composites were irradiated with a 120 MeV Ni¹⁰⁺ beam at two different fluences of 1×10¹¹ and 5×10¹² ions/cm² to study ion-induced effects on their dielectric, structural properties and surface morphology. AC electrical properties of these samples were studied in the frequency range 100 Hz to 10 MHz. The dielectric permittivity/loss shows frequency dependent behavior and it obeys the universal law of dielectric (i.e. ?α f ^n?1) for pristine and irradiated samples at high frequency. The crystalline size and crystallinity of the composites were studied by X-ray diffraction analysis. Decrease in peak intensity after irradiation signifies the amorphization which is also responsible for decrease in T _g as obtained by means of differential scanning calorimetry measurement. Fourier transform infrared spectra also support this result. Surface roughness increases upon irradiation as observed from scanning electron microscopy.     

Insights into the binding mechanism of 2,5-substituted 4-pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM,dynamics and docking simulations of protein–ligand complexes

The study is focused on examining 2,5-Substituted 4-Pyrone based compounds through quantum chemical and topological analysis techniques, evaluating the properties of these compounds, including their geometrical structure, intermolecular interactions and assess their possible applications. Additionally, the molecular stability, charge delocalization and UV-Visible data was investigated and compared with the calculated energy and oscillator strength using the TD-DFT approach. The researchers observed that charge transfer occurred within the molecule, indicated by the HOMO and LUMO energies. It was also found that the compound exhibited planarity and higher chemical reactivity. The calculated Mulliken charges and molecular electrostatic potential were used to interpret the Fukui index data that help predict reactive sites and understand the reactivity patterns of specific atoms in a compound. The study is aimed to understand the role of NCI in the molecule under investigation using electron localization functions and localized orbit locator methods. Molecular docking and ADMET studies were conducting involving a detailed MD simulation of a protein-ligand complex using the OPLS3e force field and the SPC water model. These findings could prove to be beneficial in developing new therapeutic agents with various pharmacological effects and potential toxicities.