Surface and bulk spin ordering of antiferromagnetic materials: NiO(111)

We present a study of the prototypical NiO(111) antiferromagnet by nonresonant surface x-ray magnetic scattering. Direct access to the antiferromagnetic surface and bulk spin ordering is demonstrated. Our data support a first order antiferromagnetic to paramagnetic transition. A quantitative determination of the magnetization profile is proposed. It is shown that the NiO(111) surface spins remain ordered at higher temperatures than in the bulk and that the blocking temperature in exchange coupled ferromagnetic-NiO interfaces is most likely related to an S-domain structure loss occurring 25 K below the Ne el temperature.     

Dynamics of neuron populations in noisy environments

In this paper different topologies of populations of FitzHugh-Nagumo neurons have been introduced in order to investigate the role played by the noise in the network. Each neuron is subjected to an independent source of noise. In these conditions the behavior of the population depends on the connection among the elements. By analyzing several kinds of topology (ranging from regular to random) different behaviors have been observed. Several topologies behave in an optimal way with respect to the range of noise level leading to an improvement in the stimulus response coherence, while others with respect to the maximum values of the performance index. However, the best results in terms of both the suitable noise level and high stimulus response coherence have been obtained when a diversity in neuron characteristic parameters has been introduced and the neurons have been connected in a small-world topology.     

The robust network loading problem with dynamic routing

In this paper the Robust Network Loading problem with splittable flows and dynamic routing under polyhedral uncertainty for the demands is considered. Polyhedral results for the capacity formulation of the problem are given. The first exact approach for solving the problem is presented. A branch-and-cut algorithm based on the proposed capacity formulation is developed. Computational results using the hose polyhedron to model the demand uncertainty are discussed.     

Signal processing of GC-MS data of complex environmental samples: characterization of homologous series

Identification and characterization of homologous series by GC-MS analysis provide very relevant information on organic compounds in complex mixtures. A chemometric approach, based on the study of the autocovariance function, EACVF_tot, is described as a suitable tool for extracting molecular-structural information from the GC signal, in particular for identifying the presence of homologous series and quantifying the number of their terms. A data pre-processing procedure is introduced to transform the time axis in order to display a strictly homogenous retention pattern: n-alkanes are used as external standard to stretch or shrink the original chromatogram in order to build up a linear GC retention scale. This addition can be regarded as a further step in the direction of a signal processing procedure for achieving a systematic characterization of complex mixture from experimental chromatograms. The EACVF_tot was computed on the linearized chromatogram: if the sample presents terms of homologous series, the EACVF_tot plot shows well-defined deterministic peaks at repeated constant interdistances. By comparison with standard references, the presence of such peaks is diagnostic for the presence of the ordered series, their position can be related to the chemical structure of the compounds, their height is the basis for estimating the number of terms in the series. The power of the procedure can be magnified by studying SIM chromatograms acquired at specific m/z values characteristic of the compounds of interest: the EACVF_tot on these selective signals makes it possible to confirm the results obtained from an unknown mixture and check their reliability.The procedure was validated on standard mixtures of known composition and applied to an unknown gas oil sample. In particular, the paper focuses on the study of two specific classes of compounds: n-alkanes and oxygen-containing compounds, since their identification provides information useful for characterizing the chemical composition of many samples of different origin. The robustness of the method was tested in experimental chromatograms obtained under unfavorable conditions: chromatograms acquired in non-optimal temperature program conditions and chromatographic data affected by signal noise.     

Biomimetic organocatalytic asymmetric synthesis of 2-substituted piperidine-type alkaloids and their analogues

Natural substances such as pelletierine and its analogues have been prepared in up to 97% ee and good yield by a protective-group-free, biomimetic approach. Usage of benzonitrile or acetonitrile as solvents effectively prevents product racemization.     

Quality and comparability of measurement of potentially toxic elements in urban soils by a group of European laboratories

A study has been conducted to assess the quality and comparability of measurement of aqua-regia-soluble cadmium, chromium, copper, iron, manganese, nickel, lead, and zinc in urban soils within a small cohort of European research laboratories specializing in soil science or environmental analytical chemistry. An initial survey indicated that highly variable levels of analytical quality control (e.g. use of certified reference materials) were routinely implemented in participant laboratories. When a set of soil samples—differing in metal contents and in characteristics such as pH and organic-matter content—were exchanged and analysed, approximately 20% of results differed from target values by more than 25%. A principal-component analysis was applied to data for chromium, copper, nickel, lead, and zinc, and proved successful in assessing overall laboratory performance. The study indicates that greater prominence needs to be given to quality assurance and control if comparable data are to be generated in international, collaborative research projects.