Poly(aniline boronic acid)-based conductimetric sensor of dopamine

Interdigitated microelectrodes derivatized with poly(aniline boronic acid) show a dopamine-sensitive response at pH 7.4.     

Auto-organization in sol-gel type polycondensation: a door to the nanosciences

Silica-based hybrid organic-inorganic materials prepared by sol-gel chemistry exhibit chemical and physical properties revealing their anisotropic organization. Besides the opportunities that these phenomena open for the preparation of new materials, they also provide arguments for the chemist looking for better comprehension and control of the solid's organization.     

Surface states of cobalt nanoislands on Cu111

The electronic structure of thin Co nanoislands on Cu(111) has been investigated below and above the Fermi level (E(F)) by scanning tunneling spectroscopy at low temperature. Two surface related electronic states are found: a strong localized peak 0.31 eV below E(F) and a mainly unoccupied dispersive state, giving rise to quantum interference patterns of standing electron waves on the Co surface. Ab initio calculations reveal that the electronic states are spin polarized, originating from d3(z(2)-r(2))-minority and sp-majority bands, respectively.     

Holographic phase-shift measurement during development of a fixed grating in lithium niobate crystals

We report what is believed to be the first direct measurement of the grating phase-shift evolution during white-light illumination for the development of a fixed grating in an Fe-doped lithium niobate crystal. Stabilized holographic recording is shown to be essential for such measurements. Experimental data are in good agreement with theory and allow computation of the relevant material parameters for the sample under analysis. The results are of the utmost relevance for understanding the advantageous behavior of oxidized samples in hologram fixing.     

Rate of Convergence in Homogenization of Parabolic PDEs

We consider the solutions to /tu ⁽ⁿ⁾=a ⁽ⁿ⁾(x)u ⁽ⁿ⁾ where {a ⁽ⁿ⁾(x)} _n=1,2,... are random fields satisfying a well-mixing condition (which is different to the usual strong mixing condition). In this paper we estimate the rate of convergence of u ⁽ⁿ⁾ to the solution of a heat equation. Since our equation is of simple form, we get quite strong result which covers the previous homogenization results obtained on this equation.     

Influence of attenuation on the behavior of refracted elastic waves at the interface between anisotropic media

During the ultrasonic non-destructive evaluation of complex materials, like multilayer or composite materials, the behavior of the ultrasonic waves at the interface of samples is strongly dependent upon the anisotropy as well as the attenuation characteristics of the propagation media. In the generally arbitrary case, the incident wave is assumed to be inhomogeneous. Therefore the application of the Snell-Descartes laws requires to consider the real as well as the imaginary parts of all the quantities encountered during the study. In that aim, we use a representation of the complex slowness curves so-called slowness interface curves which point out the evolution of the interaction of the waves at the interface with the inhomogeneity factors, i.e. the imaginary part of the slowness vectors. The continuous distortion of the curves with the inhomogeneity factor increasing is an interesting approach of these complicated phenomena.     

Towards a new age of virtual ADME/TOX and multidimensional drug discovery

With the continual pressure to ensure follow-up molecules to billion dollar blockbuster drugs, there is a hurdle in profitability and growth for pharmaceutical companies in the next decades. With each success and failure we increasingly appreciate that a key to the success of synthesized molecules through the research and development process is the possession of drug-like properties. These properties include an adequate bioactivity as well as adequate solubility, an ability to cross critical membranes (intestinal and sometimes blood-brain barrier), reasonable metabolic stability and of course safety in humans. Dependent on the therapeutic area being investigated it might also be desirable to avoid certain enzymes or transporters to circumvent potential drug-drug interactions. It may also be important to limit the induction of these same proteins that can result in further toxicities. We have clearly moved the assessment of in vitro absorption, distribution, metabolism, excretion and toxicity (ADME/TOX) parameters much earlier in the discovery organization than a decade ago with the inclusion of higher throughput systems. We are also now faced with huge amounts of ADME/TOX data for each molecule that need interpretation and also provide a valuable resource for generating predictive computational models for future drug discovery. The present review aims to show what tools exist today for visualizing and modeling ADME/TOX data, what tools need to be developed, and how both the present and future tools are valuable for virtual filtering using ADME/TOX and bioactivity properties in parallel as a viable addition to present practices.     

Low-energy effects in brane worlds: Liennard–Wiechert potentials and Hydrogen Lamb shift

Testing extra dimensions at low-energies may lead to interesting effects. In this work a test point charge is taken to move uniformly in the 3D subspace of a (3 + n)-brane embedded in a (3 + n + 1)-space with n compact and one warped infinite spatial extra dimensions. We found that the electromagnetic potentials of the point charge match standard Liennard–Wiechert’s at large distances but differ from them close to it. These are finite at the position of the charge and produce finite self-energies. We also studied a localized Hydrogen atom and take the deviation from the standard Coulomb potential as a perturbation. This produces a Lamb shift that is compared with known experimental data to set bounds for the parameter of the model. This work provides details and extends results reported in a previous Letter. We are pleased to dedicate this work to Professor Octavio Obregón on occasion of his 60th birthday. H. A. Morales-Técotl is an associate member of the Abdus Salam ICTP, Trieste Italy.     

Uncertainty evaluation of the spectral UV irradiance evaluated by using the UVSPEC radiative transfer model

The radiative transfer models allow calculating the spectral UV irradiance from some set of measured input quantities linked with the surface reflectivity, the solar zenith angle, the ozone column and the characteristics of clouds and aerosols. The spectral irradiance yielded by a model is influenced by errors in the measurement of the input quantities. In this paper, the influences of these errors are characterized and compared with other systematic effects through an uncertainty analysis. We evaluated the uncertainty of the spectral UV irradiance rendered by the UVSPEC model, under cloudless sky conditions. In order to express the uncertainty of the output quantities (the global, direct and diffuse irradiances) in terms of the standard uncertainties of the input quantities, we used a Monte Carlo-based uncertainty propagation technique. We found that the uncertainty of the irradiance in the UV-B part of the spectrum was strongly influenced by the uncertainty attributed to the ozone column datum. Moreover, the uncertainities associated with the aerosol parameters accounted for most of the UV-A global irradiance uncertainty; the latter increased from about 4% under low aerosol conditions, up to about 14% in case of polluted air. We conclude that the UV irradiance evaluation through radiative transfer models requires paying special attention to the assessment of the aerosols properties.