Atomic structure and segregation in alkali-metal heteroclusters

The ground-state atomic and electronic distributions in NamCsn clusters with composition m=n and m=2n have been calculated by minimizing the total cluster energy using the density-functional formalism. The approximation is made by replacing the total external potential of the ions by its spherical average around the cluster center during the iterative process of solving the Kohn-Sham equations for each geometry tested. In the size range studied here (up to 90 atoms per cluster), the cluster is composed of well-separated homoatomic Na and Cs shells, the external one always being a Cs shell. We have also found that the cohesive energy goes rapidly to the bulk limit. An analysis of the geometries shows strong cluster reconstruction with increasing size. By comparing the geometry of pure Nan with that of the Nan core in NanCsn for clusters formed by only an inner Na layer and an outer Cs layer, we have observed that the Nan core adopts a geometry different in most cases from that of the free Nan cluster, and such that the number of faces of the polyhedron formed by the Nan core is as close as possible to the number of external Cs atoms, in order to accomodate these Cs atoms on top of the faces of the polyhedron

Matching CIE illuminants to measured spectral power distributions: A method to evaluate non-visual potential of daylight in two European cities

The evaluation of non-visual effects of light is a crucial topic in lighting design research and practice. Performing such analysis requires precise information about the spectral distribution of the tested light source. Assessing non-visual effects of daylight is complicated due to its spectral composition continuously changing, depending on many factors. Currently there are no available databases with spectral and spatial radiation patterns of the sky vault for locations spread all over the world, and an easy and common method to evaluate non-visual effects of daylight is lacking. The goal of the paper is to provide a simple method to evaluate the non-visual potential of daylight, accounting for its variability. In order to present it, spectral measurements were conducted in two European cities in spring and summer. Horizontal and vertical illuminance toward the four cardinal directions was measured. Daylight variability was analysed in terms of illuminance, Correlated Colour Temperature (CCT) and Melanopic to Photopic (M/P) ratio. A comparison between the measured spectra and the CIE standard illuminants was performed and it was found that the usefulness of this method to evaluate non-visual effects of light in terms of M/P is adequate and provides reliable results. Therefore, a simple method to estimate the non-visual potential of daylight based on the use of D series of illuminants was presented and validated by comparing the results with the measured data. Using this method to calculate M/P always achieves RMSPEs below 6%

Bacteriophages, phage endolysins and antimicrobial peptides - the possibilities for their common use to combat infections and in the design of new drugs

The antibiotic resistance in many pathogenic bacteria has become a major clinical problem, therefore, the necessity arises to search for new therapeutic strategies. The most promising solution lies in bacteriophages, phage endolysins and antimicrobial peptides. The aim of this study is to review the possibilities for the common use of bacteriophages, phage endolysins and antimicrobial peptides, both in the form of combined therapies and new strategies for the production of peptide drugs. Bacteriophages are viruses that specifically infect and destroy pathogenic bacteria by penetration into bacterial cells, causing metabolism disorders and, consequently, cell lysis. Phage-encoded endolysins are bacteriolytic proteins produced at the end of the phage lytic cycle that destroy elements of bacterial cell wall and enable the release of phage progeny from host cells. Antimicrobial peptides (AMPs) constitute an element of the innate immunity of living organisms and are characterized by the activity against a broad spectrum of bacteria. In the literature, there are only a few reports on the direct interaction of bacteriophages, phage endolysins and antimicrobial peptides against pathogenic bacteria. In each of them, a synergistic effect was observed, and Phage-encoded antimicrobial peptides as a specific group of AMPs have were also discussed. Phage-display technique was also reviewed in terms of its applications to produce and deliver biologically active peptides. The literature data also suggest that bacteriophages, phage endolysins and antimicrobial peptides can be used in combined therapy, thus negating many of the limitations resulting from their specificity as a single antimicrobial agent

Actinide Corroles: Synthesis and Characterization of Thorium(IV) and Uranium(IV) bis(-chloride) Dimers

The first synthesis and structural characterization of actinide corroles is presented. Thorium(IV) and uranium(IV) macrocycles of Mes2(p-OMePh)corrole were synthesised and characterized by single-crystal X-ray diffraction, UV-Visible spectroscopy, variable-temperature 1H NMR, ESI mass spectrometry and cyclic voltammetry