Electrically controlled optical bandgap in a structurally chiral material

The propagation of light along the axis of non-homogeneity of a structurally chiral medium (SCM) under the influence of a low-frequency (dc) electric field aligned along the same axis is investigated. The Pockels effect is assumed to occur, and the SCM is taken to possess locally a point group symmetry. The frequency-domain Maxwell curl equations are cast in a 4 × 4 matrix representation, and the Oseen transformation is invoked. The band structure is analyzed, as are also the eigenvectors as well as the transfer matrix. Finally, the reflection and transmission of a plane wave due to a SCM of finite thickness is considered. The low-frequency electric field is shown to control the bandgap.     

Acerolide, a new cytotoxic cembranolide from the soft coral Pseudopterogorgia acerosa

A new cembranolide, acerolide (1) together with the known compound pseudopterolide (2) were isolated from the 2-propanol extract of the soft coral Pseudopterogorgia acerosa. The structure of 1 was determined on the basis of detailed spectroscopic analysis. Compound 1 showed moderate in vitro cytotoxicity against a panel of 14 tumor cell lines.     

Effect of Ni and Pd on the geometry, electronic properties, and active sites of copper clusters

The geometry, electronic properties, and active sites of copper clusters doped with Ni or Pd atoms, Cu(n)()(-)(1)M (n = 2-6; M = Ni, Pd) have been investigated using first-principles methods. Planar structures are energetically favorable in Cu(n)()(-)(1)Ni (n = 2-6). However, for Pd-doped clusters, three-dimensional structures are competitive in energy, and for n = 6, the most stable structure is not planar. Several properties of doped copper clusters present odd-even oscillations as the number of copper atoms grow. The different atomic ground-state configuration of Ni and Pd determines the bonding and electronic properties of doped copper clusters. The interaction between impurities and copper atoms can modify the chemical hardness and active sites of doped copper clusters markedly inducing directionality in the reactivity. This effect is relevant to the behavior of catalysts as well as in the growth of metallic films.     

Definition of a nucleophilicity scale

This work deals with exploring some empirical scales of nucleophilicity. We have started evaluating the experimental indices of nucleophilicity proposed by Legon and Millen on the basis of the measure of the force constants derived from vibrational frequencies using a probe dipole H-X (X = F,CN). The correlation among some theoretical parameters with this experimental scale has been evaluated. The theoretical parameters have been chosen as the minimum of the electrostatic potential V(min), the binding energy (BE) between the nucleophile and the H-X dipole, and the electrostatic potential measured at the position of the hydrogen atom V(H) when the complex nucleophile and dipole H-X is in the equilibrium geometry. All of them present good correlations with the experimental nucleophilicity scale. In addition, the BEs of the nucleophiles with two other Lewis acids (one hard, BF(3), and the other soft, BH(3)) have been evaluated. The results suggest that the Legon and Millen nucleophilicity scale and the electrostatic potential derived scales can describe in good approximation the reactivity order of the nucleophiles only when the interactions with a probe electrophile is of the hard-hard type. For a covalent interaction that is orbital controlled, a new nucleophilicity index using information of the frontier orbitals of both, the nucleophile and the electrophile has been proposed.     

Carrier-concentration dependence of the pseudogap ground state of superconducting Bi₂Sr(₂-x)La(x)CuO(₆+δ) revealed by ⁶³,⁶⁵Cu-nuclear magnetic resonance in very high magnetic fields

We report the results of the Knight shift by ?3,??Cu-NMR measurements on single-layered copper-oxide Bi?Sr(?-x)La(x)CuO(?+δ) conducted under very high magnetic fields up to 44 T. The magnetic field suppresses superconductivity completely, and the pseudogap ground state is revealed. The ?3Cu-NMR Knight shift shows that there remains a finite density of states at the Fermi level in the zero-temperature limit, which indicates that the pseudogap ground state is a metallic state with a finite volume of Fermi surface. The residual density of states in the pseudogap ground state decreases with decreasing doping (increasing x) but remains quite large even at the vicinity of the magnetically ordered phase of x ≥ 0.8, which suggests that the density of states plunges to zero upon approaching the Mott insulating phase.     

Interior regularity results for zeroth order operators approaching the fractional Laplacian

In this article we are interested in interior regularity results for the solution \({\mu _ \in } \in C(\bar \Omega )\) of the Dirichlet problem

$$\{ _{\mu = 0in{\Omega ^c},}^{{I_ \in }(\mu ) = {f_ \in }in\Omega }$$

where Ω is a bounded, open set and \({f_ \in } \in C(\bar \Omega )\) for all ? ∈ (0, 1). For some σ ∈ (0, 2) fixed, the operator \(\mathcal{I}_{\in}\) is explicitly given by

$${I_ \in }(\mu ,x) = \int_{{R^N}} {\frac{{[\mu (x + z) - \mu (x)]dz}}{{{ \in ^{N + \sigma }} + |z{|^{N + \sigma }}}}} ,$$

which is an approximation of the well-known fractional Laplacian of order σ, as ? tends to zero. The purpose of this article is to understand how the interior regularity of u? evolves as ? approaches zero. We establish that u_? has a modulus of continuity which depends on the modulus of f_?, which becomes the expected Hölder profile for fractional problems, as ? → 0. This analysis includes the case when f? deteriorates its modulus of continuity as ? → 0.

     

Riemann and Dirichlet Type Problems for Hyperanalytic Functions in Fractal Domains

In this paper we are interested in finding solvability conditions for Riemann and Dirichlet type boundary value problems with generalized Hölder-continuous boundary data in the case of hyperanalytic functions defined in a domain of the complex plane bounded by an h-summable closed curve.     

A pH-tunable nanofluidic diode: electrochemical rectification in a reconstituted single ion channel

We report pH-dependent electrochemical rectification in a protein ion channel (the bacterial porin OmpF) reconstituted on a planar phospholipid membrane. The measurements performed at single-channel level show that the electric current is controlled by the protein fixed charge and it can be tuned by adjusting the local pH. Under highly asymmetric pH conditions, the channel behaves like a liquid diode. Unlike other nanofluidic devices that display also asymmetric conductance, here the microscopic charge distribution of the system can be explored by using the available high-resolution (2.4 A) channel crystallographic structure. Continuum electrostatics calculations confirm the hypothesized bipolar structure of the system. The selective titration of the channel residues is identified as the underlying physicochemical mechanism responsible for current rectification.     

On uniqueness for nonlinear elliptic equation involving the Pucci's extremal operator

In this article we study uniqueness of positive solutions for the nonlinear uniformly elliptic equation in RN, limr→∞u(r)=0, where denotes the Pucci's extremal operator with parameters 0<λ?Λ and p>1. It is known that all positive solutions of this equation are radially symmetric with respect to a point in RN, so the problem reduces to the study of a radial version of this equation. However, this is still a nontrivial question even in the case of the Laplacian (λ=Λ). The Pucci's operator is a prototype of a nonlinear operator in no-divergence form. This feature makes the uniqueness question specially challenging, since two standard tools like Pohozaev identity and global integration by parts are no longer available. The corresponding equation involving is also considered.