Painless Reconstruction from Magnitudes of Frame Coefficients

The goal of this paper is to develop fast algorithms for signal reconstruction from magnitudes of frame coefficients. This problem is important to several areas of research in signal processing, especially speech recognition technology, as well as state tomography in quantum theory. We present linear reconstruction algorithms for tight frames associated with projective 2-designs in finite-dimensional real or complex Hilbert spaces. Examples of such frames are two-uniform frames and mutually unbiased bases, which include discrete chirps. The number of operations required for reconstruction with these frames grows at most as the cubic power of the dimension of the Hilbert space. Moreover, we present a very efficient algorithm which gives reconstruction on the order of d operations for a d-dimensional Hilbert space.     

Palladium‐Catalyzed Oxidative Intermolecular Difunctionalization of Terminal Alkenes with Organostannanes and Molecular Oxygen

A cationic palladium complex catalyzes the title transformations, which are thought to proceed via a π‐allyl or π‐benzyl intermediate. The regioselectivity of the reaction (1,2‐ or 1,1‐difunctionalization) depends on the type of terminal double bond (conjugated or nonconjugated) in the substrate (see scheme) and appears to be controlled by the relative rates of β‐hydride elimination and transmetalation. DMA=dimethylacetamide, Tf=triflyl.

     

The Stochastic Wave Equation with Multiplicative Fractional Noise: A Malliavin Calculus Approach

We consider the stochastic wave equation with multiplicative noise, which is fractional in time with index H > 1/2, and has a homogeneous spatial covariance structure given by the Riesz kernel of order α. The solution is interpreted using the Skorohod integral. We show that the sufficient condition for the existence of the solution is α > d − 2, which coincides with the condition obtained in Dalang (Electr J Probab 4(6):29, 1999), when the noise is white in time. Under this condition, we obtain estimates for the p-th moments of the solution, we deduce its H?lder continuity, and we show that the solution is Malliavin differentiable of any order. When d ≤ 2, we prove that the first-order Malliavin derivative of the solution satisfies a certain integral equation.     

In Silico Molecular Docking Analysis of Karanjin against Alzheimer’s and Parkinson’s Diseases as a Potential Natural Lead Molecule for New Drug Design,Development and Therapy

Parkinson’s disease (PD) and Alzheimer’s disease (AD) are neurodegenerative disorders that have emerged as among the serious health problems of the 21st century. The medications currently available to treat AD and PD have limited efficacy and are associated with side effects. Natural products are one of the most vital and conservative sources of medicines for treating neurological problems. Karanjin is a furanoflavonoid, isolated mainly from Pongamia pinnata with several medicinal plants, and has been reported for numerous health benefits. However, the effect of karanjin on AD and PD has not yet been systematically investigated. To evaluate the neuroprotective effect of karanjin, extensive in silico studies starting with molecular docking against five putative targets for AD and four targets for PD were conducted. The findings were compared with three standard drugs using Auto Dock 4.1 and Molegro Virtual Docker software. Additionally, the physiochemical properties (Lipinski rule of five), drug-likeness and parameters including absorption, distribution, metabolism, elimination and toxicity (ADMET) profiles of karanjin were also studied. The molecular dynamics (MD) simulations were performed with two selective karanjin docking complexes to analyze the dynamic behaviors and binding free energy at 100 ns time scale. In addition, frontier molecular orbitals (FMOs) and density-functional theory (DFT) were also investigated from computational quantum mechanism perspectives using the Avogadro-ORCA 1.2.0 platform. Karanjin complies with all five of Lipinski’s drug-likeness rules with suitable ADMET profiles for therapeutic use. The docking scores (kcal/mol) showed comparatively higher potency against AD and PD associated targets than currently used standard drugs. Overall, the potential binding affinity from molecular docking, static thermodynamics feature from MD-simulation and other multiparametric drug-ability profiles suggest that karanjin could be considered as a suitable therapeutic lead for AD and PD treatment. Furthermore, the present results were strongly correlated with the earlier study on karanjin in an Alzheimer’s animal model. However, necessary in vivo studies, clinical trials, bioavailability, permeability and safe dose administration, etc. must be required to use karanjin as a potential drug against AD and PD treatment, where the in silico results are more helpful to accelerate the drug development.     

Optimal design of a 2 DOF parallel robot

This paper is aimed at presenting a study on the optimization of the Biglide mini parallel robot, which comprises two-degree-of-freedom (DOF) mini parallel robots with constant struts. The robot workspace is characterized and the inverse kinematics equation is obtained. In the paper, design optimization is implemented with Genetic Algorithms (GA) for optimization considering transmission quality index and workspace. Here, intended to show the advantages of using the GA, we applied it to a multicriteria optimization problem of 2 DOF mini parallel robot. Genetic algorithms (GA) are so far generally the best and most robust kind of evolutionary algorithms. A GA has a number of advantages. It can quickly scan a vast solution set. Bad proposals do not affect the end solution negatively as they are simply discarded. The obtained results have shown that the use of GA in such kind of optimization problem enhances the quality of the optimization outcome, providing a better and more realistic support for the decision maker. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Micro‐Raman spectroscopy and SEM/EDX applied to improve the zircon fission track method used for dating geological formations

The zircon mineral is widely studied in geochronology. In the case of the fission track method (FTM), the age is determined by the density of fission tracks at the zircon surface, which can be observed with an optical microscope after an appropriate chemical treatment (etching). The etching must be isotropic at the zircon grain surface to be used in the FTM, which leads those zircon grains whose etching is anisotropic to be discarded. The only reason for this discarding is the nonuniform morphology of the surface grain seen by optical microscopy, that is, no further physicochemical analysis is performed. In this work, combining micro‐Raman and scanning electron microscopy (SEM) to study the etching anisotropy, it was shown that zircon grains that present at least one area at the surface where the density of fission track is uniform can be used in the FTM. The micro‐Raman showed characteristic spectra of the standard zircon sample either from the areas where there are tracks or from where there are not. The only difference found was in the Raman bandwidths, which were broader for the areas with higher density of fission tracks. This suggests simply a decrease in the relative percentage of the crystalline/amorphous phases at these areas. The SEM/energy dispersive spectrometry (EDX) showed that there were no significant differences in the principal chemical composition at the areas with and without fission tracks. Copyright © 2008 John Wiley & Sons, Ltd.