Effect of dipolar interaction on the antiferromagnetic resonance spectra of NiO

We have investigated the antiferromagnetic (AF) resonance modes (AFMR) of NiO, theoretically using a model that includes the effects of exchange, dipolar coupling, and a small cubic anisotropy, and experimentally using Brillouin scattering. Using only superexchange between next nearest Ni atoms the model accounts for the observed AF structure with a [112] spin orientation. The model predicts that there are four, weakly coupled, AF lattices that should therefore exhibit eight AFMR modes. Because of degeneracies, only five distinct frequencies are predicted by the model. Three of these frequencies are consistent with the doublet observed by Raman scattering and the central peak reported in Brillouin experiments. Using Brillouin scattering we report the observation of the two missing modes.     

Pressure calculation in hybrid particle-field simulations

In the framework of a recently developed scheme for a hybrid particle-field simulation techniques where self-consistent field (SCF) theory and particle models (molecular dynamics) are combined [J. Chem. Phys. 130, 214106 (2009)], we developed a general formulation for the calculation of instantaneous pressure and stress tensor. The expressions have been derived from statistical mechanical definition of the pressure starting from the expression for the free energy functional in the SCF theory. An implementation of the derived formulation suitable for hybrid particle-field molecular dynamics-self-consistent field simulations is described. A series of test simulations on model systems are reported comparing the calculated pressure with those obtained from standard molecular dynamics simulations based on pair potentials.     

Reversible binding of metal ions onto bacterial layers revealed by protonation-induced ATR-FTIR difference spectroscopy

The ability of microorganisms to adhere to abiotic surfaces and the potentialities of attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy have been exploited to study protonation and heavy metal binding events onto bacterial surfaces. This work represents the first attempt to apply on bacteria the recently developed method known as perfusion-induced ATR-FTIR difference spectroscopy. Such a technique allows measurement of even slight changes in the infrared spectrum of the sample, deposited as a thin layer on an ATR crystal, while an aqueous solution is perfused over its surface. Solutions at different pH have been used for inducing protonation/deprotonation of functional groups lying on the surface of Rhodobacter sphaeroides cells, chosen as a model system. The interaction of Ni(2+) with surface protonable groups of this microorganism has been investigated with a double-difference approach exploiting competition between nickel cations and protons. Protonation-induced difference spectra of simple model compounds have been acquired to guide band assignment in bacterial spectra, thus allowing identification of major components involved in proton uptake and metal binding. The data collected reveal that carboxylate moieties on the bacterial surface of R. sphaeroides play a role in extracellular biosorption of Ni(2+), establishing with this ion relatively weak coordinative bonds.     

Inhibition of hepatitis B virus and human immunodeficiency virus (HIV-1) replication by Warscewiczia coccinea (Vahl) Kl. (Rubiaceae) ethanol extract

The primary objective of this study was to search for natural products capable of inhibiting hepatitis B virus (HBV) replication. The research design, methods and procedures included testing hydro-alcoholic extracts (n?=?66) of 31 species from the Venezuelan Amazonian rain forest on the cell line HepG2 2.2.15, which constitutively produces HBV. The main outcomes and results were as follows: the species Euterpe precatoria, Jacaranda copaia, Jacaranda obtusifolia, Senna silvestris, Warscewiczia coccinea and Vochysia glaberrima exerted some degree of inhibition on HBV replication. The leaves of W. coccinea showed a significant antiviral activity: 80% inhibition with 100?μg?mL?1 of extract. This extract also exerted inhibition on covalently closed circular deoxyribonucleic acid (cccDNA) production and on HIV-1 replication in MT4 cells (more than 90% inhibition with 50?μg?mL?1 of extract). Initial fractionation using organic solvents of increasing polarity and water showed that the ethanol fraction was responsible for most of the antiviral inhibitory activities of both the viruses. It was concluded that Warscewiczia coccinea extract showed inhibition of HBV and HIV-1 replication. Bioassay-guided purification of this fraction may allow the isolation of an antiviral compound with inhibitory activity against both viruses.     

Magnetic properties of Fe/ZnSe/Fe trilayers

The magnetic properties of Fe/Zn/Fe trilayers have been studied by ferromagnetic resonance and magnetization measurements. These measurements have been used to investigate the magnetic anisotropy of the iron layers and the magnetic coupling across the semiconductor spacer. The angular dependence of the resonance spectra has been measured in-plane and out-of-plane in order to deduce magnetic anisotropy constants of the samples. Experimental data were fitted by using an energy-density expression that includes bulk cubic anisotropy, growth-induced uniaxial in-plane anisotropy and perpendicular-surface anisotropy terms. A small ferromagnetic coupling is observed in the trilayers with spacer thickness up to .     

Calculation of transport properties of Co–Ag-based multilayered granular alloys

We calculate electronic transport properties of multilayered granular alloys, composed of discontinuous Co layers embedded in Ag alternated with complete Ag layers. We focus our attention on the conductivity dependance on the shape and size of the clusters. The electronic structure is self-consistently calculated using a tight binding hamiltonian which includes a Hubbard term within the unrestricted Hartree–Fock approximation. We obtain different transport regimes depending on the growth conditions and transport direction.